BDBM50377008 CHEMBL254959

SMILES: COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N(C)C

InChI Key: InChIKey=BFJABRGZFIYGKI-OAQYLSRUSA-N

Data: 3 KI  1 EC50

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 4 hits for monomerid = 50377008   

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))	BDBM50377008 (CHEMBL254959) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N(C)C Show InChI InChI=1S/C25H35N3O5S/c1-26(2)34(30,31)24-17-23(33-5)22(32-4)15-20(24)16-25(29)27(3)21(18-28-13-9-10-14-28)19-11-7-6-8-12-19/h6-8,11-12,15,17,21H,9-10,13-14,16,18H2,1-5H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50377008 (CHEMBL254959) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N(C)C Show InChI InChI=1S/C25H35N3O5S/c1-26(2)34(30,31)24-17-23(33-5)22(32-4)15-20(24)16-25(29)27(3)21(18-28-13-9-10-14-28)19-11-7-6-8-12-19/h6-8,11-12,15,17,21H,9-10,13-14,16,18H2,1-5H3/t21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50377008 (CHEMBL254959) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N(C)C Show InChI InChI=1S/C25H35N3O5S/c1-26(2)34(30,31)24-17-23(33-5)22(32-4)15-20(24)16-25(29)27(3)21(18-28-13-9-10-14-28)19-11-7-6-8-12-19/h6-8,11-12,15,17,21H,9-10,13-14,16,18H2,1-5H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377008 (CHEMBL254959) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N(C)C Show InChI InChI=1S/C25H35N3O5S/c1-26(2)34(30,31)24-17-23(33-5)22(32-4)15-20(24)16-25(29)27(3)21(18-28-13-9-10-14-28)19-11-7-6-8-12-19/h6-8,11-12,15,17,21H,9-10,13-14,16,18H2,1-5H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.260	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor transfected in CHO cells by [35S]GTP-gamma-S binding assay				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair