Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM235784'   

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))	BDBM235784 (US9359399, 5) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C41H61N9O6/c1-27(2)24-33(48-38(53)34(26-29-14-7-4-8-15-29)47-36(51)31(42)25-28-12-5-3-6-13-28)37(52)46-32(16-9-10-20-45-41(43)44)39(54)49-22-18-30(19-23-49)50-21-11-17-35(50)40(55)56/h3-8,12-15,27,30-35H,9-11,16-26,42H2,1-2H3,(H,46,52)(H,47,51)(H,48,53)(H,55,56)(H4,43,44,45)/t31-,32-,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	0.170	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))	BDBM235784 (US9359399, 5) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C41H61N9O6/c1-27(2)24-33(48-38(53)34(26-29-14-7-4-8-15-29)47-36(51)31(42)25-28-12-5-3-6-13-28)37(52)46-32(16-9-10-20-45-41(43)44)39(54)49-22-18-30(19-23-49)50-21-11-17-35(50)40(55)56/h3-8,12-15,27,30-35H,9-11,16-26,42H2,1-2H3,(H,46,52)(H,47,51)(H,48,53)(H,55,56)(H4,43,44,45)/t31-,32-,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	0.0340	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