Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM235794'   

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))	BDBM235794 (US9359399, 6) 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)N1CCC(CC1)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C41H61N7O6/c1-28(2)25-34(46-39(51)35(27-30-15-8-5-9-16-30)45-37(49)32(42)26-29-13-6-4-7-14-29)38(50)44-33(17-10-11-21-43-3)40(52)47-23-19-31(20-24-47)48-22-12-18-36(48)41(53)54/h4-9,13-16,28,31-36,43H,10-12,17-27,42H2,1-3H3,(H,44,50)(H,45,49)(H,46,51)(H,53,54)/t32-,33-,34-,35-,36+/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	0.130	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))	BDBM235794 (US9359399, 6) 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)N1CCC(CC1)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C41H61N7O6/c1-28(2)25-34(46-39(51)35(27-30-15-8-5-9-16-30)45-37(49)32(42)26-29-13-6-4-7-14-29)38(50)44-33(17-10-11-21-43-3)40(52)47-23-19-31(20-24-47)48-22-12-18-36(48)41(53)54/h4-9,13-16,28,31-36,43H,10-12,17-27,42H2,1-3H3,(H,44,50)(H,45,49)(H,46,51)(H,53,54)/t32-,33-,34-,35-,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0360	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