Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50133263'   

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))	BDBM50133263 (CHEMBL3634929) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCCNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C67H101N23O13/c68-28-8-7-18-44(56(69)95)84-63(102)52-23-13-33-90(52)64(103)48(22-12-32-79-67(74)75)88-60(99)47-19-9-29-76-53(92)36-51(62(101)87-46(21-11-31-78-66(72)73)59(98)85-45(58(97)86-47)20-10-30-77-65(70)71)89-61(100)50(35-40-14-3-1-4-15-40)83-55(94)39-81-54(93)38-82-57(96)49(34-41-24-26-43(91)27-25-41)80-37-42-16-5-2-6-17-42/h1-6,14-17,24-27,44-52,80,91H,7-13,18-23,28-39,68H2,(H2,69,95)(H,76,92)(H,81,93)(H,82,96)(H,83,94)(H,84,102)(H,85,98)(H,86,97)(H,87,101)(H,88,99)(H,89,100)(H4,70,71,77)(H4,72,73,78)(H4,74,75,79)/t44-,45-,46-,47?,48-,49-,50-,51+,52-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	222	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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