Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM235800'   

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))	BDBM235800 (US9359399, 12) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCN)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C38H55N7O6/c1-25(2)22-31(35(47)41-30(15-18-39)37(49)44-20-16-28(17-21-44)45-19-9-14-33(45)38(50)51)43-36(48)32(24-27-12-7-4-8-13-27)42-34(46)29(40)23-26-10-5-3-6-11-26/h3-8,10-13,25,28-33H,9,14-24,39-40H2,1-2H3,(H,41,47)(H,42,46)(H,43,48)(H,50,51)/t29-,30-,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	0.170	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))	BDBM235800 (US9359399, 12) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCN)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C38H55N7O6/c1-25(2)22-31(35(47)41-30(15-18-39)37(49)44-20-16-28(17-21-44)45-19-9-14-33(45)38(50)51)43-36(48)32(24-27-12-7-4-8-13-27)42-34(46)29(40)23-26-10-5-3-6-11-26/h3-8,10-13,25,28-33H,9,14-24,39-40H2,1-2H3,(H,41,47)(H,42,46)(H,43,48)(H,50,51)/t29-,30-,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	0.0550	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