Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50044030'   

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
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50044030 ((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(...) Show SMILES CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(O)=O Show InChI InChI=1S/C43H52N8O10/c1-26-12-6-8-16-30(26)50-43(61)45-21-11-10-18-32(40(58)49-34(24-38(55)56)42(60)51(2)35(39(44)57)22-27-13-4-3-5-14-27)48-41(59)33(47-36(52)19-20-37(53)54)23-28-25-46-31-17-9-7-15-29(28)31/h3-9,12-17,25,32-35,46H,10-11,18-24H2,1-2H3,(H2,44,57)(H,47,52)(H,48,59)(H,49,58)(H,53,54)(H,55,56)(H2,45,50,61)/t32-,33-,34-,35-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]Bolton-Hunter CCK-8 binding to cholecystokinin type A receptor in guinea pig pancreas				J Med Chem 37: 309-13 (1994) BindingDB Entry DOI: 10.7270/Q2445N4S
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