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BDBM50300147 (S)-4-(1-Cyclopropyl-2-methoxyethyl)-6-[6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino]-5-oxo-4,5-dihydropyrazine-2-carbonitrile::CHEMBL573978

SMILES: COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C#N)c(OC(F)F)nc2C)c1=O

InChI Key: InChIKey=IJMQDYTVFNQBFD-CYBMUJFWSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50300147   
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
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50300147
PNG
((S)-4-(1-Cyclopropyl-2-methoxyethyl)-6-[6-(difluor...)
Show SMILES COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C#N)c(OC(F)F)nc2C)c1=O
Show InChI InChI=1S/C18H18ClF2N5O3/c1-9-12(5-11(6-22)16(23-9)29-18(20)21)24-15-17(27)26(7-14(19)25-15)13(8-28-2)10-3-4-10/h5,7,10,13,18H,3-4,8H2,1-2H3,(H,24,25)/t13-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CRF1 receptor in human Y79 cells assessed as inhibition of CRF-stimulated cAMP production after 30 mins by HTRF analysis


J Med Chem 52: 7653-68 (2009)


Article DOI: 10.1021/jm900716v
BindingDB Entry DOI: 10.7270/Q2CN740W
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50300147
PNG
((S)-4-(1-Cyclopropyl-2-methoxyethyl)-6-[6-(difluor...)
Show SMILES COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C#N)c(OC(F)F)nc2C)c1=O
Show InChI InChI=1S/C18H18ClF2N5O3/c1-9-12(5-11(6-22)16(23-9)29-18(20)21)24-15-17(27)26(7-14(19)25-15)13(8-28-2)10-3-4-10/h5,7,10,13,18H,3-4,8H2,1-2H3,(H,24,25)/t13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.860n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogenate by binding titration assay


J Med Chem 52: 7653-68 (2009)


Article DOI: 10.1021/jm900716v
BindingDB Entry DOI: 10.7270/Q2CN740W
More data for this
Ligand-Target Pair