Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50157799'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50157799 (1'-benzyl-6,7-didehydro-3,14-dihydroxy-4,5alpha-ep...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(Cc2ccccc2)c41)ccc5O |r,TLB:31:9:12:3.2.1,7:8:12:3.2.1| Show InChI InChI=1S/C30H32N2O3/c1-31-14-13-29-25-19-11-12-23(33)27(25)35-28(29)26-21(16-30(29,34)24(31)15-19)20-9-5-6-10-22(20)32(26)17-18-7-3-2-4-8-18/h2-4,7-8,11-12,24,28,33-34H,5-6,9-10,13-17H2,1H3/t24?,28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50157799 (1'-benzyl-6,7-didehydro-3,14-dihydroxy-4,5alpha-ep...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(Cc2ccccc2)c41)ccc5O |r,TLB:31:9:12:3.2.1,7:8:12:3.2.1| Show InChI InChI=1S/C30H32N2O3/c1-31-14-13-29-25-19-11-12-23(33)27(25)35-28(29)26-21(16-30(29,34)24(31)15-19)20-9-5-6-10-22(20)32(26)17-18-7-3-2-4-8-18/h2-4,7-8,11-12,24,28,33-34H,5-6,9-10,13-17H2,1H3/t24?,28-,29-,30+/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	1.75E+3	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair