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BDBM50351370 CHEMBL1819060

SMILES: CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1C

InChI Key: InChIKey=CFUUSJFFQOJXBU-UHFFFAOYSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 50351370   
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))
BDBM50351370
PNG
(CHEMBL1819060)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-2.08,4.74,;-3.43,3.99,;-3.46,2.45,;-2.14,1.66,;-.79,2.41,;-4.8,1.71,;-4.83,.17,;-6.18,-.57,;-7.64,-.07,;-8.57,-1.3,;-7.69,-2.56,;-6.21,-2.12,;-4.89,-2.91,;-3.53,-2.16,;-2.08,-2.65,;-1.16,-1.42,;.38,-1.43,;-2.05,-.16,;-3.51,-.62,;-1.62,-4.12,;-2.66,-5.25,;-2.21,-6.72,;-.7,-7.05,;-.24,-8.52,;-1.29,-9.66,;.34,-5.91,;-.12,-4.45,;.92,-3.31,)|
Show InChI InChI=1S/C23H30N4O/c1-6-16(7-2)24-22-19-9-8-10-20(19)25-23-21(15(4)26-27(22)23)18-12-11-17(28-5)13-14(18)3/h11-13,16,24H,6-10H2,1-5H3
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 170n/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
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50351370
PNG
(CHEMBL1819060)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-2.08,4.74,;-3.43,3.99,;-3.46,2.45,;-2.14,1.66,;-.79,2.41,;-4.8,1.71,;-4.83,.17,;-6.18,-.57,;-7.64,-.07,;-8.57,-1.3,;-7.69,-2.56,;-6.21,-2.12,;-4.89,-2.91,;-3.53,-2.16,;-2.08,-2.65,;-1.16,-1.42,;.38,-1.43,;-2.05,-.16,;-3.51,-.62,;-1.62,-4.12,;-2.66,-5.25,;-2.21,-6.72,;-.7,-7.05,;-.24,-8.52,;-1.29,-9.66,;.34,-5.91,;-.12,-4.45,;.92,-3.31,)|
Show InChI InChI=1S/C23H30N4O/c1-6-16(7-2)24-22-19-9-8-10-20(19)25-23-21(15(4)26-27(22)23)18-12-11-17(28-5)13-14(18)3/h11-13,16,24H,6-10H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 37n/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