BDBM50281663 10-cyclopropylmethyl-1-ethyl-4-hydroxy-13-methyl-(1R,9S,13R)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one::3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one(EKC)::CHEMBL422551

SMILES: CC[C@]12CCN(CC3CC3)[C@@H]([C@@H]1C)C(=O)c1ccc(O)cc21

InChI Key: InChIKey=SEJUQQOPVAUETF-KHDYIWLOSA-N

Data: 2 KI  1 IC50

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 = 50281663   

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))	BDBM50281663 (10-cyclopropylmethyl-1-ethyl-4-hydroxy-13-methyl-(...) Show SMILES CC[C@]12CCN(CC3CC3)[C@@H]([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for binding affinity against Opioid receptor kappa 1				Bioorg Med Chem Lett 3: 841-846 (1993) Article DOI: 10.1016/S0960-894X(00)80677-0 BindingDB Entry DOI: 10.7270/Q2ST7PS8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50281663 (10-cyclopropylmethyl-1-ethyl-4-hydroxy-13-methyl-(...) Show SMILES CC[C@]12CCN(CC3CC3)[C@@H]([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17-,19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for binding affinity against mu opioid receptor				Bioorg Med Chem Lett 3: 841-846 (1993) Article DOI: 10.1016/S0960-894X(00)80677-0 BindingDB Entry DOI: 10.7270/Q2ST7PS8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50281663 (10-cyclopropylmethyl-1-ethyl-4-hydroxy-13-methyl-(...) Show SMILES CC[C@]12CCN(CC3CC3)[C@@H]([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17-,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand				J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53
					More data for this Ligand-Target Pair