BindingDB logo
myBDB logout

BDBM50149515 CHEMBL181593::[6-(Cyclopropylmethyl-propyl-amino)-2,5-dimethyl-pyrimidin-4-yl]-(2,4,6-trimethyl-phenyl)-methanone

SMILES: CCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C

InChI Key: InChIKey=CGGIHGFGMZBHBI-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50149515   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50149515
PNG
(CHEMBL181593 | [6-(Cyclopropylmethyl-propyl-amino)...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C
Show InChI InChI=1S/C23H31N3O/c1-7-10-26(13-19-8-9-19)23-17(5)21(24-18(6)25-23)22(27)20-15(3)11-14(2)12-16(20)4/h11-12,19H,7-10,13H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human CRF1 receptor


Bioorg Med Chem Lett 14: 3869-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.072
BindingDB Entry DOI: 10.7270/Q23J3CD4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50149515
PNG
(CHEMBL181593 | [6-(Cyclopropylmethyl-propyl-amino)...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C
Show InChI InChI=1S/C23H31N3O/c1-7-10-26(13-19-8-9-19)23-17(5)21(24-18(6)25-23)22(27)20-15(3)11-14(2)12-16(20)4/h11-12,19H,7-10,13H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CRF-stimulated cAMP production in cells expressing CRF1 receptor


Bioorg Med Chem Lett 14: 3869-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.072
BindingDB Entry DOI: 10.7270/Q23J3CD4
More data for this
Ligand-Target Pair