BDBM86718 MCL-101
SMILES: Oc1ccc2CC3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
InChI Key: InChIKey=YSTAPDGDOHWKQR-MNBHBKLXSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 86718 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86718
(MCL-101)Show SMILES Oc1ccc2CC3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:16:15:7:21.4.5,22:21:7:15.13.14| Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20?,21+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rochester
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 821-7 (2005)
Article DOI: 10.1124/jpet.105.084343 BindingDB Entry DOI: 10.7270/Q22Z144Q |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM86718
(MCL-101)Show SMILES Oc1ccc2CC3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:16:15:7:21.4.5,22:21:7:15.13.14| Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20?,21+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rochester
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 821-7 (2005)
Article DOI: 10.1124/jpet.105.084343 BindingDB Entry DOI: 10.7270/Q22Z144Q |
More data for this Ligand-Target Pair | |