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SMILES: CCC(CC)c1cc(C)n2nc(-c3ccc(nc3C)N(C)C)n(C)c(=O)c12

InChI Key: InChIKey=SRGCZPTXRKEEME-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50362274   
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))
BDBM50362274
PNG
(CHEMBL1939598)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(nc3C)N(C)C)n(C)c(=O)c12
Show InChI InChI=1S/C21H29N5O/c1-8-15(9-2)17-12-13(3)26-19(17)21(27)25(7)20(23-26)16-10-11-18(24(5)6)22-14(16)4/h10-12,15H,8-9H2,1-7H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.5n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in CHO-K1 cells assessed as CRF-stimulated cAMP accumulation by enzyme immunoassay


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362274
PNG
(CHEMBL1939598)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(nc3C)N(C)C)n(C)c(=O)c12
Show InChI InChI=1S/C21H29N5O/c1-8-15(9-2)17-12-13(3)26-19(17)21(27)25(7)20(23-26)16-10-11-18(24(5)6)22-14(16)4/h10-12,15H,8-9H2,1-7H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair