BindingDB logo
myBDB logout

BDBM50362278 CHEMBL1939602

SMILES: COc1cc(C)c(c(C)c1)-c1nn2c(C)cc(C(C)C)c2c(=O)n1C

InChI Key: InChIKey=JRNCKWTUYHHHMD-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50362278   
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))
BDBM50362278
PNG
(CHEMBL1939602)
Show SMILES COc1cc(C)c(c(C)c1)-c1nn2c(C)cc(C(C)C)c2c(=O)n1C
Show InChI InChI=1S/C20H25N3O2/c1-11(2)16-10-14(5)23-18(16)20(24)22(6)19(21-23)17-12(3)8-15(25-7)9-13(17)4/h8-11H,1-7H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.5n/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))
BDBM50362278
PNG
(CHEMBL1939602)
Show SMILES COc1cc(C)c(c(C)c1)-c1nn2c(C)cc(C(C)C)c2c(=O)n1C
Show InChI InChI=1S/C20H25N3O2/c1-11(2)16-10-14(5)23-18(16)20(24)22(6)19(21-23)17-12(3)8-15(25-7)9-13(17)4/h8-11H,1-7H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13.1n/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