Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM235787'   

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))	BDBM235787 (US9359399, 1) Show SMILES CNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCCN(CC1)C(N)=N |r| Show InChI InChI=1S/C37H57N9O4/c1-26(2)23-31(34(48)42-30(17-10-11-18-41-3)36(50)45-19-12-20-46(22-21-45)37(39)40)44-35(49)32(25-28-15-8-5-9-16-28)43-33(47)29(38)24-27-13-6-4-7-14-27/h4-9,13-16,26,29-32,41H,10-12,17-25,38H2,1-3H3,(H3,39,40)(H,42,48)(H,43,47)(H,44,49)/t29-,30-,31-,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.150	n/a	n/a	n/a	25
Cara Therapeutics, Inc. US Patent					Assay Description Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...				US Patent US9359399 (2016) BindingDB Entry DOI: 10.7270/Q23B5Z2C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM235787 (US9359399, 1) Show SMILES CNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCCN(CC1)C(N)=N |r| Show InChI InChI=1S/C37H57N9O4/c1-26(2)23-31(34(48)42-30(17-10-11-18-41-3)36(50)45-19-12-20-46(22-21-45)37(39)40)44-35(49)32(25-28-15-8-5-9-16-28)43-33(47)29(38)24-27-13-6-4-7-14-27/h4-9,13-16,26,29-32,41H,10-12,17-25,38H2,1-3H3,(H3,39,40)(H,42,48)(H,43,47)(H,44,49)/t29-,30-,31-,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0430	n/a	n/a	n/a	25
Cara Therapeutics, Inc. US Patent					Assay Description Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...				US Patent US9359399 (2016) BindingDB Entry DOI: 10.7270/Q23B5Z2C
					More data for this Ligand-Target Pair