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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 = 'BDBM50007990'   
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))
BDBM50007990
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)Nc1ccccc1C(F)(F)F)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H51F3N8O9/c1-42(2,3)63-41(62)54-33(22-26-24-49-29-17-9-7-15-27(26)29)38(59)50-31(19-11-12-20-48-40(61)53-30-18-10-8-16-28(30)43(44,45)46)37(58)52-34(23-35(55)56)39(60)51-32(36(47)57)21-25-13-5-4-6-14-25/h4-10,13-18,24,31-34,49H,11-12,19-23H2,1-3H3,(H2,47,57)(H,50,59)(H,51,60)(H,52,58)(H,54,62)(H,55,56)(H2,48,53,61)/t31-,32?,33?,34?/m0/s1
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Similars

PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


J Med Chem 34: 2837-42 (1991)


BindingDB Entry DOI: 10.7270/Q2JD4VRF
More data for this
Ligand-Target Pair