Table 4 Experimentally validated compounds
From: A multiple classifier system identifies novel cannabinoid CB2 receptor ligands
Data image | IDnumber/ InChiKey | Probability | Distance To closest | pKi ± SEM or % displ. |
|---|---|---|---|---|
| Z336532434 / MQIUMQLPFGFWME-UHFFFAOYSA-N | 0.82 | 0.32 | 7.67 ± 0.17 |
| Z28609248 / HXJYJTXXUOYRSB-UHFFFAOYSA-N | 0.81 | 0.29 | 16% |
| Z26476746 / VYCWCTZNPBMJFW-UHFFFAOYSA-N | 0.80 | 0.21 | 6.54 ± 0.14 |
| Z91179667 / XGVYRTRSINEVTE-UHFFFAOYSA-N | 0.78 | 0.15 | 29% |
| Z32934509 / OLTBRCMQFCQBIR-UHFFFAOYSA-N | 0.78 | 0.28 | 6.47 ± 0.02 |
| Z28357657 / NPRYSOPFJOGFSA-UHFFFAOYSA-N | 0.78 | 0.34 | 6.81 ± 0.29 |
| Z30007452 / VBFKBSAAMKINJD-UHFFFAOYSA-N | 0.77 | 0.24 | − 2% |
| Z27687312 / IHBHBQAPEZJCNM-UHFFFAOYSA-N | 0.77 | 0.23 | 7.22 ± 0.46 |
| Z46091805 / QKQCBVJKUBSZOR-UHFFFAOYSA-N | 0.76 | 0.24 | 38% |
| Z27687279 / WTGACPGXOMAZFA-UHFFFAOYSA-N | 0.76 | 0.22 | 38% |
| Z44866691 / WPWBUEOMELTWOC-FCDQGJHFSA-N | 0.76 | 0.25 | − 1% |
| Z28357392 / VBIMVPWQQQESTK-UHFFFAOYSA-N | 0.76 | 0.13 | 26% |
| Z1317886912 / MEXULSRPIBCDQX-UHFFFAOYSA-N | 0.76 | 0.28 | 3% |
| Z44867007 / PCCXRCZRXNECAZ-JLPGSUDCSA-N | 0.76 | 0.30 | 0% |
| Z237484560 / LIGIHTRZFDFDAN-UHFFFAOYSA-N | 0.75 | 0.15 | − 1% |
| Z223843850 / CVSSLUCDGJDGHX-UHFFFAOYSA-N | 0.75 | 0.32 | − 5% |
| Z27019562 / WNXCAGCQOBOQMO-UHFFFAOYSA-N | 0.75 | 0.33 | 30% |
| Z55473655 / VDTRQSFAESBVFB-UHFFFAOYSA-N | 0.75 | 0.26 | 7% |
| Z2094674960 / RISCNDGLDMULEE-UHFFFAOYSA-N | 0.75 | 0.29 | 0% |
| Z1523102560 / IXASXIGZGJSBJT-UHFFFAOYSA-N | 0.75 | 0.30 | 18% |
| Z27680708 / HKWXDCJIBMAAFV-UHFFFAOYSA-N | 0.74 | 0.31 | 7.46 ± 0.32 |
