Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM235817'   

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))	BDBM235817 (US9359399, 34) 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)NCc1cn2ccccc2n1 |r| Show InChI InChI=1S/C38H50N8O4/c1-26(2)21-32(37(49)43-31(17-9-11-19-39)36(48)41-24-29-25-46-20-12-10-18-34(46)42-29)45-38(50)33(23-28-15-7-4-8-16-28)44-35(47)30(40)22-27-13-5-3-6-14-27/h3-8,10,12-16,18,20,25-26,30-33H,9,11,17,19,21-24,39-40H2,1-2H3,(H,41,48)(H,43,49)(H,44,47)(H,45,50)/t30-,31-,32-,33-/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	0.0208	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))	BDBM235817 (US9359399, 34) 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)NCc1cn2ccccc2n1 |r| Show InChI InChI=1S/C38H50N8O4/c1-26(2)21-32(37(49)43-31(17-9-11-19-39)36(48)41-24-29-25-46-20-12-10-18-34(46)42-29)45-38(50)33(23-28-15-7-4-8-16-28)44-35(47)30(40)22-27-13-5-3-6-14-27/h3-8,10,12-16,18,20,25-26,30-33H,9,11,17,19,21-24,39-40H2,1-2H3,(H,41,48)(H,43,49)(H,44,47)(H,45,50)/t30-,31-,32-,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.354	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