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BDBM50354983 CHEMBL1836947

SMILES: COc1cc(OC(F)F)ccc1-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc12

InChI Key: InChIKey=XCBGBGCTCSPORT-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 = 50354983   
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))
BDBM50354983
PNG
(CHEMBL1836947)
Show SMILES COc1cc(OC(F)F)ccc1-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc12 |(44.5,-44.78,;42.97,-44.81,;42.22,-46.16,;43.02,-47.47,;42.27,-48.83,;43.06,-50.15,;42.32,-51.49,;43.11,-52.81,;40.78,-51.52,;40.73,-48.85,;39.94,-47.53,;40.69,-46.19,;39.9,-44.87,;40.81,-43.62,;42.35,-43.62,;39.9,-42.36,;38.42,-42.84,;37.09,-42.08,;37.08,-40.54,;35.75,-39.77,;35.74,-38.23,;36.51,-36.91,;34.97,-36.91,;34.42,-40.55,;32.88,-40.55,;33.65,-41.88,;35.76,-42.85,;35.76,-44.39,;34.42,-45.16,;37.09,-45.16,;38.42,-44.39,)|
Show InChI InChI=1S/C22H25F2N5O2/c1-11-25-20(28-18(13-4-5-13)14-6-7-14)19-21(26-11)29(12(2)27-19)16-9-8-15(31-22(23)24)10-17(16)30-3/h8-10,13-14,18,22H,4-7H2,1-3H3,(H,25,26,28)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.291n/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))
BDBM50354983
PNG
(CHEMBL1836947)
Show SMILES COc1cc(OC(F)F)ccc1-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc12 |(44.5,-44.78,;42.97,-44.81,;42.22,-46.16,;43.02,-47.47,;42.27,-48.83,;43.06,-50.15,;42.32,-51.49,;43.11,-52.81,;40.78,-51.52,;40.73,-48.85,;39.94,-47.53,;40.69,-46.19,;39.9,-44.87,;40.81,-43.62,;42.35,-43.62,;39.9,-42.36,;38.42,-42.84,;37.09,-42.08,;37.08,-40.54,;35.75,-39.77,;35.74,-38.23,;36.51,-36.91,;34.97,-36.91,;34.42,-40.55,;32.88,-40.55,;33.65,-41.88,;35.76,-42.85,;35.76,-44.39,;34.42,-45.16,;37.09,-45.16,;38.42,-44.39,)|
Show InChI InChI=1S/C22H25F2N5O2/c1-11-25-20(28-18(13-4-5-13)14-6-7-14)19-21(26-11)29(12(2)27-19)16-9-8-15(31-22(23)24)10-17(16)30-3/h8-10,13-14,18,22H,4-7H2,1-3H3,(H,25,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.291n/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