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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50003662'   
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 type A


(RAT)		BDBM50003662
PNG
(4-{2-Acetylamino-2-[1-({[1-{1-[2-(1-carbamoyl-2-ph...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H61N9O11S3/c1-29(58)52-39(25-31-15-17-33(18-16-31)71(66,67)68)45(62)54-36(19-22-69-2)44(61)51-28-42(59)53-40(26-32-27-50-35-13-8-7-12-34(32)35)46(63)55-37(20-23-70-3)48(65)57-21-9-14-41(57)47(64)56-38(43(49)60)24-30-10-5-4-6-11-30/h4-8,10-13,15-18,27,36-41,50H,9,14,19-26,28H2,1-3H3,(H2,49,60)(H,51,61)(H,52,58)(H,53,59)(H,54,62)(H,55,63)(H,56,64)(H,66,67,68)/t36-,37-,38-,39-,40-,41-/m0/s1
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Similars
PubMed
n/an/a 8.30n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.

J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair