Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50133260'   

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))	BDBM50133260 (CHEMBL3634927) Show SMILES C[C@H](NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C62H90N20O12/c1-37(60(94)82-29-15-25-48(82)59(93)77-41(52(64)86)22-11-12-26-63)75-58(92)47-34-72-49(83)32-46(57(91)79-42(23-13-27-69-61(65)66)54(88)78-43(55(89)81-47)24-14-28-70-62(67)68)80-56(90)45(31-39-18-7-3-8-19-39)76-51(85)36-73-50(84)35-74-53(87)44(30-38-16-5-2-6-17-38)71-33-40-20-9-4-10-21-40/h2-10,16-21,37,41-48,71H,11-15,22-36,63H2,1H3,(H2,64,86)(H,72,83)(H,73,84)(H,74,87)(H,75,92)(H,76,85)(H,77,93)(H,78,88)(H,79,91)(H,80,90)(H,81,89)(H4,65,66,69)(H4,67,68,70)/t37-,41-,42-,43-,44-,45-,46+,47?,48-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	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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