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BDBM50354014 CHEMBL1828899

SMILES: CCCN(CCC)c1cc(nc2ccnn12)N(CC(C)=C)c1ccc(OC)cc1Cl

InChI Key: InChIKey=OFIASSLJWCJYNI-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 = 50354014   
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))
BDBM50354014
PNG
(CHEMBL1828899)
Show SMILES CCCN(CCC)c1cc(nc2ccnn12)N(CC(C)=C)c1ccc(OC)cc1Cl
Show InChI InChI=1S/C23H30ClN5O/c1-6-12-27(13-7-2)23-15-22(26-21-10-11-25-29(21)23)28(16-17(3)4)20-9-8-18(30-5)14-19(20)24/h8-11,14-15H,3,6-7,12-13,16H2,1-2,4-5H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 856n/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 inhibition of CRF-induced cAMP accumulation after 15 mins by cAMP en...


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354014
PNG
(CHEMBL1828899)
Show SMILES CCCN(CCC)c1cc(nc2ccnn12)N(CC(C)=C)c1ccc(OC)cc1Cl
Show InChI InChI=1S/C23H30ClN5O/c1-6-12-27(13-7-2)23-15-22(26-21-10-11-25-29(21)23)28(16-17(3)4)20-9-8-18(30-5)14-19(20)24/h8-11,14-15H,3,6-7,12-13,16H2,1-2,4-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 76.7n/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 counting


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair