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BDBM50417503 GSK-561679::GSK561679A::NBI-77860::VERUCERFONT

SMILES: CC[C@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1

InChI Key: InChIKey=VKHVAUKFLBBZFJ-SFHVURJKSA-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 = 50417503   
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))
BDBM50417503
PNG
(GSK-561679 | GSK561679A | NBI-77860 | VERUCERFONT)
Show SMILES CC[C@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1
Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
6.31n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417503
PNG
(GSK-561679 | GSK561679A | NBI-77860 | VERUCERFONT)
Show SMILES CC[C@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1
Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair