Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50037874'   

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))	BDBM50037874 (CBS-5 | CHEMBL124944) Show SMILES CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(C)NC(=O)CCC(=O)N(Cc1ccccc1)N=NCCCl)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O |w:40.43| Show InChI InChI=1S/C45H55ClN10O9S/c1-28(50-38(57)17-18-39(58)56(55-49-21-20-46)27-30-13-7-4-8-14-30)42(62)53-36(24-31-26-48-33-16-10-9-15-32(31)33)44(64)51-34(19-22-66-2)43(63)54-37(25-40(59)60)45(65)52-35(41(47)61)23-29-11-5-3-6-12-29/h3-16,26,28,34-37,48H,17-25,27H2,1-2H3,(H2,47,61)(H,50,57)(H,51,64)(H,52,65)(H,53,62)(H,54,63)(H,59,60)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a
NCI-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Tested for the 50% inhibition level against [125I]- gastrin binding to guinea pig gastric glands				J Med Chem 37: 3812-8 (1994) BindingDB Entry DOI: 10.7270/Q2TM7BRX
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