Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50470636'   

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
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50470636 (CHEMBL343367) Show SMILES OC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2F)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |wU:9.9,TLB:35:36:21.22:29.24,48:43:50:47.49.46,48:47:50:43.42.44,25:24:21.22:36.31,THB:19:21:29.24:36.31,46:45:42:47.49.48,46:47:42:45.50.44,37:22:29.24:36.31,32:31:21.22:29.24,(10.91,-6.64,;11.62,-5.09,;13.17,-5.09,;10.87,-3.76,;9.52,-2.99,;9.54,-1.43,;8.19,-.66,;6.64,-.66,;6.25,.84,;5.56,-1.76,;5.96,-3.27,;7.05,-4.34,;6.64,-5.83,;7.71,-6.92,;9.2,-6.53,;9.61,-5.02,;8.52,-3.96,;8.39,-2.37,;4.05,-1.37,;2.57,-.97,;3.02,.57,;-2.06,-1.76,;-1.03,-.74,;-1.06,-2.6,;-3.33,-3.17,;-5.03,-2.88,;-6.68,-3.54,;-7.01,-4.57,;-5.47,-5.08,;-3.93,-4.47,;-2.03,-3.91,;.2,-4.41,;1.37,-5.74,;3.34,-5.74,;4.01,-4.47,;2.73,-3.21,;.92,-3.21,;-.41,.41,;-1.35,1.32,;.72,1.07,;.71,2.38,;1.84,3.06,;2.72,1.96,;3.89,2.45,;3.91,3.81,;3.02,4.84,;4.18,4.45,;4.17,3.17,;5.19,2.09,;3.04,2.75,;1.82,4.36,;10.87,-.66,;12.2,-1.43,;12.2,-2.99,;13.55,-.66,;14.89,-1.43,;13.53,.89,)| Show InChI InChI=1S/C46H44FN3O7/c47-35-12-6-1-7-27(35)19-36(41(51)49-30-17-28(44(54)55)16-29(18-30)45(56)57)50-43(53)40-38-33-10-4-2-8-31(33)37(32-9-3-5-11-34(32)38)39(40)42(52)48-23-46-20-24-13-25(21-46)15-26(14-24)22-46/h1-12,16-18,24-26,36-40H,13-15,19-23H2,(H,48,52)(H,49,51)(H,50,53)(H,54,55)(H,56,57)/t24?,25?,26?,36-,37?,38?,39?,40?,46?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Competition with 20 pM [125I]BH-CCK-8S for Cholecystokinin type B receptor binding sites in mouse cortical homogenates				J Med Chem 38: 4294-302 (1995) Article DOI: 10.1021/jm00021a019 BindingDB Entry DOI: 10.7270/Q2930WWV
					More data for this Ligand-Target Pair