Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50378890'   

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))	BDBM50378890 (CHEMBL1743604) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:32,38,44,TLB:48:47:37:39.40.43| Show InChI InChI=1S/C40H47N3O6/c1-22-16-27(44)17-23(2)28(22)20-31(41(3)4)38(46)43-21-26-9-7-6-8-24(26)18-32(43)39(47)48-34-13-10-25-19-30-29-11-12-33(45)37-40(29,14-15-42(30)5)35(25)36(34)49-37/h6-13,16-17,25,29-33,35,37,44-45H,14-15,18-21H2,1-5H3/t25?,29-,30+,31-,32-,33-,35?,37-,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting				Eur J Med Chem 46: 799-803 (2011) Article DOI: 10.1016/j.ejmech.2010.12.001 BindingDB Entry DOI: 10.7270/Q2CF9R3C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50378890 (CHEMBL1743604) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:32,38,44,TLB:48:47:37:39.40.43| Show InChI InChI=1S/C40H47N3O6/c1-22-16-27(44)17-23(2)28(22)20-31(41(3)4)38(46)43-21-26-9-7-6-8-24(26)18-32(43)39(47)48-34-13-10-25-19-30-29-11-12-33(45)37-40(29,14-15-42(30)5)35(25)36(34)49-37/h6-13,16-17,25,29-33,35,37,44-45H,14-15,18-21H2,1-5H3/t25?,29-,30+,31-,32-,33-,35?,37-,40-/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	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as inhibition of SNC80-induced [35S]GTPgammaS binding				Eur J Med Chem 46: 799-803 (2011) Article DOI: 10.1016/j.ejmech.2010.12.001 BindingDB Entry DOI: 10.7270/Q2CF9R3C
					More data for this Ligand-Target Pair