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BDBM50351398 CHEMBL1819088

SMILES: CCC(CC)Nc1c2CCOc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl

InChI Key: InChIKey=YBMGGKSGVALVNU-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 = 50351398   
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))
BDBM50351398
PNG
(CHEMBL1819088)
Show SMILES CCC(CC)Nc1c2CCOc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C21H25ClN4O2/c1-5-13(6-2)23-19-16-9-10-28-21(16)24-20-18(12(3)25-26(19)20)15-8-7-14(27-4)11-17(15)22/h7-8,11,13,23H,5-6,9-10H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP productio...


Bioorg Med Chem 19: 5432-45 (2011)


Article DOI: 10.1016/j.bmc.2011.07.055
BindingDB Entry DOI: 10.7270/Q2Z038JX
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50351398
PNG
(CHEMBL1819088)
Show SMILES CCC(CC)Nc1c2CCOc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C21H25ClN4O2/c1-5-13(6-2)23-19-16-9-10-28-21(16)24-20-18(12(3)25-26(19)20)15-8-7-14(27-4)11-17(15)22/h7-8,11,13,23H,5-6,9-10H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 84n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5432-45 (2011)


Article DOI: 10.1016/j.bmc.2011.07.055
BindingDB Entry DOI: 10.7270/Q2Z038JX
More data for this
Ligand-Target Pair