Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50133252'   

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))	BDBM50133252 (CHEMBL3634923) Show SMILES C[C@H](NCc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C59H93N23O12/c1-34(71-30-36-16-6-3-7-17-36)49(87)74-32-46(84)73-33-47(85)75-41(28-35-14-4-2-5-15-35)52(90)80-42-29-45(83)72-31-43(81-51(89)39(20-11-25-69-58(64)65)77-50(88)38(78-53(42)91)19-10-24-68-57(62)63)54(92)79-40(21-12-26-70-59(66)67)56(94)82-27-13-22-44(82)55(93)76-37(48(61)86)18-8-9-23-60/h2-7,14-17,34,37-44,71H,8-13,18-33,60H2,1H3,(H2,61,86)(H,72,83)(H,73,84)(H,74,87)(H,75,85)(H,76,93)(H,77,88)(H,78,91)(H,79,92)(H,80,90)(H,81,89)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t34-,37-,38-,39-,40-,41-,42+,43?,44-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	516	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter				J Med Chem 58: 8783-95 (2015) Article DOI: 10.1021/jm501827k BindingDB Entry DOI: 10.7270/Q2348N7Z
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