Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50021502'   

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))	BDBM50021502 (1N,4N-di[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12...) Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:62:61:45:63.49.48,THB:9:8:13:4.5.6| Show InChI InChI=1S/C50H64N10O14/c1-59-15-13-47-41-25-3-5-29(61)43(41)73-45(47)27(9-11-49(47,71)31(59)17-25)57-39(69)23-55-37(67)21-53-35(65)19-51-33(63)7-8-34(64)52-20-36(66)54-22-38(68)56-24-40(70)58-28-10-12-50(72)32-18-26-4-6-30(62)44-42(26)48(50,46(28)74-44)14-16-60(32)2/h3-6,27-28,31-32,45-46,61-62,71-72H,7-24H2,1-2H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,67)(H,56,68)(H,57,69)(H,58,70)/t27-,28-,31?,32?,45-,46-,47?,48?,49+,50+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane				J Med Chem 29: 1855-61 (1986) BindingDB Entry DOI: 10.7270/Q21Z43DQ
					More data for this Ligand-Target Pair