Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM235816'   

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))	BDBM235816 (US9359399, 32) 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)N1CCC(CC1)N1C(=O)Cc2ccccc12 |r| Show InChI InChI=1S/C43H57N7O5/c1-29(2)25-36(48-42(54)37(27-31-15-7-4-8-16-31)47-40(52)34(45)26-30-13-5-3-6-14-30)41(53)46-35(18-11-12-22-44)43(55)49-23-20-33(21-24-49)50-38-19-10-9-17-32(38)28-39(50)51/h3-10,13-17,19,29,33-37H,11-12,18,20-28,44-45H2,1-2H3,(H,46,53)(H,47,52)(H,48,54)/t34-,35-,36-,37-/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	0.00500	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))	BDBM235816 (US9359399, 32) 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)N1CCC(CC1)N1C(=O)Cc2ccccc12 |r| Show InChI InChI=1S/C43H57N7O5/c1-29(2)25-36(48-42(54)37(27-31-15-7-4-8-16-31)47-40(52)34(45)26-30-13-5-3-6-14-30)41(53)46-35(18-11-12-22-44)43(55)49-23-20-33(21-24-49)50-38-19-10-9-17-32(38)28-39(50)51/h3-10,13-17,19,29,33-37H,11-12,18,20-28,44-45H2,1-2H3,(H,46,53)(H,47,52)(H,48,54)/t34-,35-,36-,37-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0485	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