Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM235815'   

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))	BDBM235815 (US9359399, 31) 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(C)nnc1C |r| Show InChI InChI=1S/C39H57N9O4/c1-26(2)23-34(44-38(51)35(25-30-15-9-6-10-16-30)43-36(49)32(41)24-29-13-7-5-8-14-29)37(50)42-33(17-11-12-20-40)39(52)47-21-18-31(19-22-47)48-27(3)45-46-28(48)4/h5-10,13-16,26,31-35H,11-12,17-25,40-41H2,1-4H3,(H,42,50)(H,43,49)(H,44,51)/t32-,33-,34-,35-/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	0.00420	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))	BDBM235815 (US9359399, 31) 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(C)nnc1C |r| Show InChI InChI=1S/C39H57N9O4/c1-26(2)23-34(44-38(51)35(25-30-15-9-6-10-16-30)43-36(49)32(41)24-29-13-7-5-8-14-29)37(50)42-33(17-11-12-20-40)39(52)47-21-18-31(19-22-47)48-27(3)45-46-28(48)4/h5-10,13-16,26,31-35H,11-12,17-25,40-41H2,1-4H3,(H,42,50)(H,43,49)(H,44,51)/t32-,33-,34-,35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0216	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