Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50046129'   

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 (Homo sapiens (Human))	BDBM50046129 (3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-(1-...) Show SMILES CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12 Show InChI InChI=1S/C42H47N5O7/c1-42(2,3)54-41(53)36(23-29-25-44-33-20-11-10-19-31(29)33)47(4)40(52)35(21-26-13-6-5-7-14-26)46-39(51)34(24-37(48)49)45-38(50)32(43)22-28-17-12-16-27-15-8-9-18-30(27)28/h5-20,25,32,34-36,44H,21-24,43H2,1-4H3,(H,45,50)(H,46,51)(H,48,49)/t32-,34-,35-,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane				J Med Chem 36: 166-72 (1993) BindingDB Entry DOI: 10.7270/Q26M37FJ
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