BDBM50261689 CHEMBL509054::cis-rac-3-Cyclopropylmethyl-6,11-dimethyl-7-nitro-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol

SMILES: C[C@H]1C2Cc3ccc(O)c(c3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O

InChI Key: InChIKey=FGTWLCWQXIFUIM-PDAVGIGWSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50261689   

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))	BDBM50261689 (CHEMBL509054 | cis-rac-3-Cyclopropylmethyl-6,11-di...) Show SMILES C[C@H]1C2Cc3ccc(O)c(c3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3| Show InChI InChI=1S/C18H24N2O3/c1-11-14-9-13-5-6-15(21)17(20(22)23)16(13)18(11,2)7-8-19(14)10-12-3-4-12/h5-6,11-12,14,21H,3-4,7-10H2,1-2H3/t11-,14?,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 5653-64 (2008) Article DOI: 10.1016/j.bmc.2008.03.066 BindingDB Entry DOI: 10.7270/Q23X87JZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50261689 (CHEMBL509054 | cis-rac-3-Cyclopropylmethyl-6,11-di...) Show SMILES C[C@H]1C2Cc3ccc(O)c(c3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3| Show InChI InChI=1S/C18H24N2O3/c1-11-14-9-13-5-6-15(21)17(20(22)23)16(13)18(11,2)7-8-19(14)10-12-3-4-12/h5-6,11-12,14,21H,3-4,7-10H2,1-2H3/t11-,14?,18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 5653-64 (2008) Article DOI: 10.1016/j.bmc.2008.03.066 BindingDB Entry DOI: 10.7270/Q23X87JZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50261689 (CHEMBL509054 | cis-rac-3-Cyclopropylmethyl-6,11-di...) Show SMILES C[C@H]1C2Cc3ccc(O)c(c3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3| Show InChI InChI=1S/C18H24N2O3/c1-11-14-9-13-5-6-15(21)17(20(22)23)16(13)18(11,2)7-8-19(14)10-12-3-4-12/h5-6,11-12,14,21H,3-4,7-10H2,1-2H3/t11-,14?,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 5653-64 (2008) Article DOI: 10.1016/j.bmc.2008.03.066 BindingDB Entry DOI: 10.7270/Q23X87JZ
					More data for this Ligand-Target Pair