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BDBM50002481 3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(3-hydroxy-phenyl)-acryloylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid::CHEMBL264811

SMILES: CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)C=Cc1cccc(O)c1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O

InChI Key: InChIKey=TXWDJHFQXJRULD-QTNFWPTDSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50002481   
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 A receptor


(Cavia porcellus)
BDBM50002481
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=Cc1cccc(O)c1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H53N7O10/c1-44(2,3)61-43(60)51-35(24-29-26-47-32-17-8-7-16-31(29)32)41(58)48-33(18-9-10-21-46-37(53)20-19-28-14-11-15-30(52)22-28)40(57)50-36(25-38(54)55)42(59)49-34(39(45)56)23-27-12-5-4-6-13-27/h4-8,11-17,19-20,22,26,33-36,47,52H,9-10,18,21,23-25H2,1-3H3,(H2,45,56)(H,46,53)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H,54,55)/t33-,34?,35?,36?/m0/s1
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/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
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50002481
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=Cc1cccc(O)c1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H53N7O10/c1-44(2,3)61-43(60)51-35(24-29-26-47-32-17-8-7-16-31(29)32)41(58)48-33(18-9-10-21-46-37(53)20-19-28-14-11-15-30(52)22-28)40(57)50-36(25-38(54)55)42(59)49-34(39(45)56)23-27-12-5-4-6-13-27/h4-8,11-17,19-20,22,26,33-36,47,52H,9-10,18,21,23-25H2,1-3H3,(H2,45,56)(H,46,53)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H,54,55)/t33-,34?,35?,36?/m0/s1
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KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 970n/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