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BDBM50354967 CHEMBL1836932

SMILES: COc1ccc(cc1)-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc12

InChI Key: InChIKey=QKPKNTCVFVGSEU-UHFFFAOYSA-N

Data: 1 KI  1 Kd

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 = 50354967   
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))
BDBM50354967
PNG
(CHEMBL1836932)
Show SMILES COc1ccc(cc1)-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc12
Show InChI InChI=1S/C21H25N5O/c1-12-22-20(25-18(14-4-5-14)15-6-7-15)19-21(23-12)26(13(2)24-19)16-8-10-17(27-3)11-9-16/h8-11,14-15,18H,4-7H2,1-3H3,(H,22,23,25)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CRF1 receptor expressed in CHO cells assessed as inhibition of CRF-induced cAMP formation


Bioorg Med Chem Lett 21: 6108-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.040
BindingDB Entry DOI: 10.7270/Q2F19046
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354967
PNG
(CHEMBL1836932)
Show SMILES COc1ccc(cc1)-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc12
Show InChI InChI=1S/C21H25N5O/c1-12-22-20(25-18(14-4-5-14)15-6-7-15)19-21(23-12)26(13(2)24-19)16-8-10-17(27-3)11-9-16/h8-11,14-15,18H,4-7H2,1-3H3,(H,22,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 12n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CRF1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6108-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.040
BindingDB Entry DOI: 10.7270/Q2F19046
More data for this
Ligand-Target Pair