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SMILES: COc1ccc(c(Cl)c1)-c1nn2c(C)cc(C(C)C)c2c(=O)n1C

InChI Key: InChIKey=MYVFDXLEEWIVRS-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50362272   
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))
BDBM50362272
PNG
(CHEMBL1939596)
Show SMILES COc1ccc(c(Cl)c1)-c1nn2c(C)cc(C(C)C)c2c(=O)n1C
Show InChI InChI=1S/C18H20ClN3O2/c1-10(2)14-8-11(3)22-16(14)18(23)21(4)17(20-22)13-7-6-12(24-5)9-15(13)19/h6-10H,1-5H3
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/an/an/a 7.40n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in CHO-K1 cells assessed as CRF-stimulated cAMP accumulation by enzyme immunoassay


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362272
PNG
(CHEMBL1939596)
Show SMILES COc1ccc(c(Cl)c1)-c1nn2c(C)cc(C(C)C)c2c(=O)n1C
Show InChI InChI=1S/C18H20ClN3O2/c1-10(2)14-8-11(3)22-16(14)18(23)21(4)17(20-22)13-7-6-12(24-5)9-15(13)19/h6-10H,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair