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BDBM50098787 CHEMBL3593468

SMILES: Clc1cc(Cl)cc(N\N=C(/C#N)C(=O)c2cc(on2)C2CCCCC2)c1

InChI Key: InChIKey=YKPVPCAWLCGOCD-XQNSMLJCSA-N

Data: 2 IC50

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 = 50098787   
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
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50098787
PNG
(CHEMBL3593468)
Show SMILES Clc1cc(Cl)cc(N\N=C(/C#N)C(=O)c2cc(on2)C2CCCCC2)c1
Show InChI InChI=1S/C18H16Cl2N4O2/c19-12-6-13(20)8-14(7-12)22-23-16(10-21)18(25)15-9-17(26-24-15)11-4-2-1-3-5-11/h6-9,11,22H,1-5H2/b23-16+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant EPAC1 assessed as inhibition of Rap1b-bGDP exchange activity


J Med Chem 58: 6033-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00635
BindingDB Entry DOI: 10.7270/Q29025JD
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 4


(Mus musculus)
BDBM50098787
PNG
(CHEMBL3593468)
Show SMILES Clc1cc(Cl)cc(N\N=C(/C#N)C(=O)c2cc(on2)C2CCCCC2)c1
Show InChI InChI=1S/C18H16Cl2N4O2/c19-12-6-13(20)8-14(7-12)22-23-16(10-21)18(25)15-9-17(26-24-15)11-4-2-1-3-5-11/h6-9,11,22H,1-5H2/b23-16+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Displacement of 8-NBD-cAMP from mouse recombinant EPAC2 by fluorescence assay


J Med Chem 58: 6033-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00635
BindingDB Entry DOI: 10.7270/Q29025JD
More data for this
Ligand-Target Pair