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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50002517'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50002517
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H51ClN8O9/c1-44(2,3)62-43(61)53-35(22-27-24-48-31-14-8-7-13-29(27)31)41(59)50-32(15-9-10-18-47-39(57)34-21-26-20-28(45)16-17-30(26)49-34)40(58)52-36(23-37(54)55)42(60)51-33(38(46)56)19-25-11-5-4-6-12-25/h4-8,11-14,16-17,20-21,24,32-33,35-36,48-49H,9-10,15,18-19,22-23H2,1-3H3,(H2,46,56)(H,47,57)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,54,55)/t32-,33-,35-,36-/m0/s1
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PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex

J Med Chem 35: 2007-14 (1992)


BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair