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BDBM50002526 3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(3,4-dichloro-phenyl)-acryloylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acidAcOH; hydrate::CHEMBL300319::CHEMBL3144550

SMILES: CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)C=Cc1ccc(Cl)c(Cl)c1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O

InChI Key: InChIKey=NFKVCYCVSZPFPC-QTNFWPTDSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50002526   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50002526
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)C=Cc1ccc(Cl)c(Cl)c1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H51Cl2N7O9/c1-44(2,3)62-43(61)53-35(23-28-25-49-32-14-8-7-13-29(28)32)41(59)50-33(15-9-10-20-48-37(54)19-17-27-16-18-30(45)31(46)21-27)40(58)52-36(24-38(55)56)42(60)51-34(39(47)57)22-26-11-5-4-6-12-26/h4-8,11-14,16-19,21,25,33-36,49H,9-10,15,20,22-24H2,1-3H3,(H2,47,57)(H,48,54)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,55,56)/t33-,34?,35?,36?/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5.00E+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
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50002526
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)C=Cc1ccc(Cl)c(Cl)c1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H51Cl2N7O9/c1-44(2,3)62-43(61)53-35(23-28-25-49-32-14-8-7-13-29(28)32)41(59)50-33(15-9-10-20-48-37(54)19-17-27-16-18-30(45)31(46)21-27)40(58)52-36(24-38(55)56)42(60)51-34(39(47)57)22-26-11-5-4-6-12-26/h4-8,11-14,16-19,21,25,33-36,49H,9-10,15,20,22-24H2,1-3H3,(H2,47,57)(H,48,54)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,55,56)/t33-,34?,35?,36?/m0/s1
MMDB

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B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 49n/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 pancreas.


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