Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50021492'   

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))	BDBM50021492 (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)CCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:54:53:37:55.41.40,THB:9:8:13:4.5.6| Show InChI InChI=1S/C42H52N6O10/c1-47-15-13-39-33-21-3-5-25(49)35(33)57-37(39)23(9-11-41(39,55)27(47)17-21)45-31(53)19-43-29(51)7-8-30(52)44-20-32(54)46-24-10-12-42(56)28-18-22-4-6-26(50)36-34(22)40(42,38(24)58-36)14-16-48(28)2/h3-6,23-24,27-28,37-38,49-50,55-56H,7-20H2,1-2H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t23-,24-,27?,28?,37-,38-,39?,40?,41+,42+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	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