BDBM50189137 (2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-(N-ethylpropionamido)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromene-7-carboxylate::CHEMBL384403

SMILES: CCN([C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1)C(=O)CC

InChI Key: InChIKey=HXDNRXHSGCIUEP-JTGHKJGDSA-N

Data: 1 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 2 hits for monomerid = 50189137   

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))	BDBM50189137 ((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-(N-ethylprop...) Show SMILES CCN([C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1)C(=O)CC Show InChI InChI=1S/C26H35NO7/c1-6-20(28)27(7-2)18-12-17(23(30)32-5)25(3)10-8-16-24(31)34-19(15-9-11-33-14-15)13-26(16,4)22(25)21(18)29/h9,11,14,16-19,22H,6-8,10,12-13H2,1-5H3/t16-,17-,18+,19-,22-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	376	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189137 ((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-(N-ethylprop...) Show SMILES CCN([C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1)C(=O)CC Show InChI InChI=1S/C26H35NO7/c1-6-20(28)27(7-2)18-12-17(23(30)32-5)25(3)10-8-16-24(31)34-19(15-9-11-33-14-15)13-26(16,4)22(25)21(18)29/h9,11,14,16-19,22H,6-8,10,12-13H2,1-5H3/t16-,17-,18+,19-,22-,25-,26-/m0/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	857	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair