Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM235818'   

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))	BDBM235818 (US9359399, 35) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1cnc(C)cn1 |r| Show InChI InChI=1S/C36H50N8O4/c1-24(2)18-31(35(47)42-30(16-10-11-17-37)34(46)41-23-28-22-39-25(3)21-40-28)44-36(48)32(20-27-14-8-5-9-15-27)43-33(45)29(38)19-26-12-6-4-7-13-26/h4-9,12-15,21-22,24,29-32H,10-11,16-20,23,37-38H2,1-3H3,(H,41,46)(H,42,47)(H,43,45)(H,44,48)/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	0.00640	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))	BDBM235818 (US9359399, 35) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1cnc(C)cn1 |r| Show InChI InChI=1S/C36H50N8O4/c1-24(2)18-31(35(47)42-30(16-10-11-17-37)34(46)41-23-28-22-39-25(3)21-40-28)44-36(48)32(20-27-14-8-5-9-15-27)43-33(45)29(38)19-26-12-6-4-7-13-26/h4-9,12-15,21-22,24,29-32H,10-11,16-20,23,37-38H2,1-3H3,(H,41,46)(H,42,47)(H,43,45)(H,44,48)/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	0.0359	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