Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50133221'   

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))	BDBM50133221 (CHEMBL3634921) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCCc2ccccc2)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/C66H99N23O13/c67-27-8-7-17-43(55(68)94)83-62(101)51-21-12-32-89(51)63(102)46(20-11-30-78-66(73)74)86-61(100)50-36-79-52(91)35-49(60(99)85-44(18-9-28-76-64(69)70)57(96)84-45(58(97)88-50)19-10-29-77-65(71)72)87-59(98)48(34-40-15-5-2-6-16-40)82-54(93)38-80-53(92)37-81-56(95)47(33-41-22-24-42(90)25-23-41)75-31-26-39-13-3-1-4-14-39/h1-6,13-16,22-25,43-51,75,90H,7-12,17-21,26-38,67H2,(H2,68,94)(H,79,91)(H,80,92)(H,81,95)(H,82,93)(H,83,101)(H,84,96)(H,85,99)(H,86,100)(H,87,98)(H,88,97)(H4,69,70,76)(H4,71,72,77)(H4,73,74,78)/t43-,44-,45-,46-,47-,48-,49+,50?,51-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	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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