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BDBM50351387 CHEMBL1819077

SMILES: CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl

InChI Key: InChIKey=LDIOUQIXNSSOGU-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

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 4 hits for monomerid = 50351387   
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))
BDBM50351387
PNG
(CHEMBL1819077)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C22H27ClN4O/c1-5-14(6-2)24-21-17-8-7-9-19(17)25-22-20(13(3)26-27(21)22)16-11-10-15(28-4)12-18(16)23/h10-12,14,24H,5-9H2,1-4H3
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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5432-45 (2011)


Article DOI: 10.1016/j.bmc.2011.07.055
BindingDB Entry DOI: 10.7270/Q2Z038JX
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50351387
PNG
(CHEMBL1819077)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C22H27ClN4O/c1-5-14(6-2)24-21-17-8-7-9-19(17)25-22-20(13(3)26-27(21)22)16-11-10-15(28-4)12-18(16)23/h10-12,14,24H,5-9H2,1-4H3
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Article
PubMed
n/an/an/an/a 40n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP production ...


Bioorg Med Chem 19: 5432-45 (2011)


Article DOI: 10.1016/j.bmc.2011.07.055
BindingDB Entry DOI: 10.7270/Q2Z038JX
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50351387
PNG
(CHEMBL1819077)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C22H27ClN4O/c1-5-14(6-2)24-21-17-8-7-9-19(17)25-22-20(13(3)26-27(21)22)16-11-10-15(28-4)12-18(16)23/h10-12,14,24H,5-9H2,1-4H3
PDB
MMDB

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CHEMBL
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PC sid
UniChem

Patents


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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from corticotropin-releasing factor receptor 1 in rat brain membranes after 2 hrs by gamma counting


Bioorg Med Chem 19: 5432-45 (2011)


Article DOI: 10.1016/j.bmc.2011.07.055
BindingDB Entry DOI: 10.7270/Q2Z038JX
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50351387
PNG
(CHEMBL1819077)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C22H27ClN4O/c1-5-14(6-2)24-21-17-8-7-9-19(17)25-22-20(13(3)26-27(21)22)16-11-10-15(28-4)12-18(16)23/h10-12,14,24H,5-9H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 40n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP productio...


Bioorg Med Chem 19: 5432-45 (2011)


Article DOI: 10.1016/j.bmc.2011.07.055
BindingDB Entry DOI: 10.7270/Q2Z038JX
More data for this
Ligand-Target Pair