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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50002516'   
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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002516
PNG
(3-{6-[(6-Acetoxy-naphthalene-2-carbonyl)-amino]-2-...)
Show SMILES CC(=O)Oc1ccc2cc(ccc2c1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H55N7O11/c1-28(56)65-34-20-19-30-23-32(18-17-31(30)24-34)43(60)50-21-11-10-16-37(44(61)54-40(26-41(57)58)46(63)53-38(42(49)59)22-29-12-6-5-7-13-29)52-45(62)39(55-47(64)66-48(2,3)4)25-33-27-51-36-15-9-8-14-35(33)36/h5-9,12-15,17-20,23-24,27,37-40,51H,10-11,16,21-22,25-26H2,1-4H3,(H2,49,59)(H,50,60)(H,52,62)(H,53,63)(H,54,61)(H,55,64)(H,57,58)/t37-,38-,39-,40-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.40E+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)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair