Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM235798'   

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))	BDBM235798 (US9359399, 10) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCC(N)(CC1)C(O)=O |r| Show InChI InChI=1S/C34H49N9O6/c1-21(2)17-25(29(45)42-27(20-39-33(36)37)31(47)43-15-13-34(38,14-16-43)32(48)49)41-30(46)26(19-23-11-7-4-8-12-23)40-28(44)24(35)18-22-9-5-3-6-10-22/h3-12,21,24-27H,13-20,35,38H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)(H,48,49)(H4,36,37,39)/t24-,25-,26-,27-/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	0.300	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))	BDBM235798 (US9359399, 10) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCC(N)(CC1)C(O)=O |r| Show InChI InChI=1S/C34H49N9O6/c1-21(2)17-25(29(45)42-27(20-39-33(36)37)31(47)43-15-13-34(38,14-16-43)32(48)49)41-30(46)26(19-23-11-7-4-8-12-23)40-28(44)24(35)18-22-9-5-3-6-10-22/h3-12,21,24-27H,13-20,35,38H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)(H,48,49)(H4,36,37,39)/t24-,25-,26-,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.826	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