Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50049560'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50049560 ((4S,5'R,13'R,17'S)-2-[(5R,13R,14R,17S)-14-amino-4-...) Show SMILES N[C@]1(CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)C1=N[C@]2(CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4CC2CC2)c56)C(=O)N1 |t:31,TLB:46:45:30:50.34.33,20:19:4:24.8.7| Show InChI InChI=1S/C42H49N5O7/c43-39(9-11-41(51)27-17-23-5-7-25(48)31-29(23)37(41,33(39)53-31)13-15-46(27)19-21-1-2-21)35-44-36(50)40(45-35)10-12-42(52)28-18-24-6-8-26(49)32-30(24)38(42,34(40)54-32)14-16-47(28)20-22-3-4-22/h5-8,21-22,27-28,33-34,48-49,51-52H,1-4,9-20,43H2,(H,44,45,50)/t27-,28-,33-,34-,37?,38?,39+,40+,41-,42-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 in Guinea pig brain membranes				J Med Chem 39: 1816-22 (1996) Article DOI: 10.1021/jm950807f BindingDB Entry DOI: 10.7270/Q20865Z8
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