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BDBM50002491 3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-(3-p-tolyl-acryloylamino)-hexanoylamino]-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate::CHEMBL304921::CHEMBL3144563

SMILES: Cc1ccc(\C=C/C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1

InChI Key: InChIKey=JKCRLBNQUWLIAN-KKHBYIRHSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50002491   
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))
BDBM50002491
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES Cc1ccc(\C=C/C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1
Show InChI InChI=1S/C45H55N7O9/c1-28-17-19-29(20-18-28)21-22-38(53)47-23-11-10-16-34(41(57)51-37(26-39(54)55)43(59)50-35(40(46)56)24-30-12-6-5-7-13-30)49-42(58)36(52-44(60)61-45(2,3)4)25-31-27-48-33-15-9-8-14-32(31)33/h5-9,12-15,17-22,27,34-37,48H,10-11,16,23-26H2,1-4H3,(H2,46,56)(H,47,53)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,54,55)/t34-,35?,36?,37?/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.50E+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)
BDBM50002491
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES Cc1ccc(\C=C/C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1
Show InChI InChI=1S/C45H55N7O9/c1-28-17-19-29(20-18-28)21-22-38(53)47-23-11-10-16-34(41(57)51-37(26-39(54)55)43(59)50-35(40(46)56)24-30-12-6-5-7-13-30)49-42(58)36(52-44(60)61-45(2,3)4)25-31-27-48-33-15-9-8-14-32(31)33/h5-9,12-15,17-22,27,34-37,48H,10-11,16,23-26H2,1-4H3,(H2,46,56)(H,47,53)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,54,55)/t34-,35?,36?,37?/m0/s1
MMDB

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B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 71n/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