Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50471063'   

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)	BDBM50471063 (CHEMBL301095) Show SMILES OC(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:30:29:32:25.24.26,30:25:32:29.31.28,17:18:4.3:11.6,7:6:4.3:18.13,10:11:4.3:18.13,THB:28:27:24:29.31.30,28:29:24:27.32.26,19:4:11.6:18.13,1:3:11.6:18.13,14:13:4.3:11.6,(5.18,-3.21,;3.53,-3.21,;3.95,-1.61,;1.88,-3.21,;2.73,-2.3,;2.73,-3.37,;.97,-4.32,;.25,-3.1,;-1.24,-3.18,;-2.04,-4.47,;-1.32,-5.68,;.18,-5.59,;1.9,-4.55,;3.55,-5.37,;4.17,-6.57,;5.62,-6.58,;6.44,-5.37,;5.82,-4.15,;4.38,-4.17,;3.35,-.77,;2.33,.52,;4.98,-.55,;6.15,.62,;7.8,.62,;7.85,2.25,;9.4,2.8,;10.26,1.52,;10.26,.02,;11.99,-.71,;11.01,.64,;11.05,2.26,;9.42,.04,;8.77,-.55,)| Show InChI InChI=1S/C29H31NO3/c31-27(30-15-29-12-16-9-17(13-29)11-18(10-16)14-29)25-23-19-5-1-3-7-21(19)24(26(25)28(32)33)22-8-4-2-6-20(22)23/h1-8,16-18,23-26H,9-15H2,(H,30,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description In vitro inhibitory activity against Cholecystokinin type B receptor using [125I]BH-CCK-8S as radioligand in mouse cortical membranes				J Med Chem 39: 1806-15 (1996) Article DOI: 10.1021/jm9508907 BindingDB Entry DOI: 10.7270/Q2571FR6
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