Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50026762'   

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 (Rattus norvegicus (rat))	BDBM50026762 (CHEMBL3331510) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C50H62N10O10S2/c1-49(2)41(57-43(65)35(51)23-31-15-19-33(61)20-16-31)47(69)53-27-39(63)55-37(25-29-11-7-5-8-12-29)45(67)59-60-46(68)38(26-30-13-9-6-10-14-30)56-40(64)28-54-48(70)42(50(3,4)72-71-49)58-44(66)36(52)24-32-17-21-34(62)22-18-32/h5-22,35-38,41-42,61-62H,23-28,51-52H2,1-4H3,(H,53,69)(H,54,70)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t35-,36-,37-,38-,41-,42-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara"G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in Wistar rat brain membranes by liquid scintillation counting based competition binding assay				ACS Med Chem Lett 5: 1032-6 (2014) Article DOI: 10.1021/ml500241n BindingDB Entry DOI: 10.7270/Q23T9JS5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50026762 (CHEMBL3331510) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C50H62N10O10S2/c1-49(2)41(57-43(65)35(51)23-31-15-19-33(61)20-16-31)47(69)53-27-39(63)55-37(25-29-11-7-5-8-12-29)45(67)59-60-46(68)38(26-30-13-9-6-10-14-30)56-40(64)28-54-48(70)42(50(3,4)72-71-49)58-44(66)36(52)24-32-17-21-34(62)22-18-32/h5-22,35-38,41-42,61-62H,23-28,51-52H2,1-4H3,(H,53,69)(H,54,70)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t35-,36-,37-,38-,41-,42-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	480	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara"G. d'Annunzio" Curated by ChEMBL					Assay Description Agonist activity at rat kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				ACS Med Chem Lett 5: 1032-6 (2014) Article DOI: 10.1021/ml500241n BindingDB Entry DOI: 10.7270/Q23T9JS5
					More data for this Ligand-Target Pair