Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM235813'   

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))	BDBM235813 (US9359399, 27) 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)N1CCC2(CC1)NC(=O)NC2=O |r| Show InChI InChI=1S/C37H52N8O6/c1-24(2)21-29(32(47)40-28(15-9-10-18-38)34(49)45-19-16-37(17-20-45)35(50)43-36(51)44-37)42-33(48)30(23-26-13-7-4-8-14-26)41-31(46)27(39)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,38-39H2,1-2H3,(H,40,47)(H,41,46)(H,42,48)(H2,43,44,50,51)/t27-,28-,29-,30-/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	<0.00100	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))	BDBM235813 (US9359399, 27) 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)N1CCC2(CC1)NC(=O)NC2=O |r| Show InChI InChI=1S/C37H52N8O6/c1-24(2)21-29(32(47)40-28(15-9-10-18-38)34(49)45-19-16-37(17-20-45)35(50)43-36(51)44-37)42-33(48)30(23-26-13-7-4-8-14-26)41-31(46)27(39)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,38-39H2,1-2H3,(H,40,47)(H,41,46)(H,42,48)(H2,43,44,50,51)/t27-,28-,29-,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.00560	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