Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50384057'   

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))	BDBM50384057 (CHEMBL2032450) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCC(=O)NCCSC1CC(=O)N(CCC(=O)NCCOCCOCCC(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)C1=O |r| Show InChI InChI=1S/C60H83N11O13S/c1-40(2)35-47(69-59(81)48(37-43-13-7-4-8-14-43)68-56(78)45(62)36-42-11-5-3-6-12-42)58(80)67-46(15-9-10-25-61)57(79)65-39-52(74)64-27-34-85-49-38-55(77)71(60(49)82)28-22-50(72)63-26-31-84-33-32-83-30-24-51(73)66-44-19-16-41(17-20-44)18-21-53(75)70-29-23-54(70)76/h3-8,11-14,16-17,19-20,40,45-49H,9-10,15,18,21-39,61-62H2,1-2H3,(H,63,72)(H,64,74)(H,65,79)(H,66,73)(H,67,80)(H,68,78)(H,69,81)/t45-,46-,47-,48-,49?/m1/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	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant kappa opioid receptor expressed in human U2OS cells coexpressing beta arrestin/EA complex assessed as beta arrestin r...				Bioorg Med Chem Lett 22: 4173-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.040 BindingDB Entry DOI: 10.7270/Q2251K62
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