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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Rap guanine nucleotide exchange factor 3' and Ligand = 'BDBM50011360'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50011360
PNG
(CHEMBL3260990)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+
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Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of EPAC1 (unknown origin)


Bioorg Med Chem Lett 27: 1633-1639 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.065
BindingDB Entry DOI: 10.7270/Q2FF3VXQ
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50011360
PNG
(CHEMBL3260990)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+
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Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of EPAC1 (unknown origin) assessed as cAMP-mediated GEF activity


J Med Chem 57: 3651-65 (2014)


Article DOI: 10.1021/jm401425e
BindingDB Entry DOI: 10.7270/Q2WH2RJW
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50011360
PNG
(CHEMBL3260990)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+
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PubMed
n/an/a 9.10E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant full length EPAC1 (unknown origin) assessed as inhibition of cAMP-mediated Rap1b-BODIPY GDP nucleotide exchange ac...


Bioorg Med Chem Lett 27: 5163-5166 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.056
BindingDB Entry DOI: 10.7270/Q2TB19FF
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50011360
PNG
(CHEMBL3260990)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+
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PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal FLAG/HA-tagged EPAC1 (unknown origin) expressed in retrovirus infected human HeLaS3 cells assessed as reduction ...


ACS Med Chem Lett 7: 460-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00477
BindingDB Entry DOI: 10.7270/Q2NC6335
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50011360
PNG
(CHEMBL3260990)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+
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Article
PubMed
n/an/a 1.08E+4n/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 3


(Homo sapiens (Human))
BDBM50011360
PNG
(CHEMBL3260990)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+
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Article
PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at EPAC1 (unknown origin) assessed as cAMP-induced guanine nucleotide exchange factor 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 3


(Homo sapiens (Human))
BDBM50011360
PNG
(CHEMBL3260990)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+
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CHEMBL
MCE
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PC sid
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Article
PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human full length EPAC1 assessed as inhibition of EPAC1-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide e...


Eur J Med Chem 134: 62-71 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.001
BindingDB Entry DOI: 10.7270/Q2RR21DK
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50011360
PNG
(CHEMBL3260990)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+
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Article
PubMed
n/an/an/a 2.00E+4n/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of 8-NBD-cAMP binding to human EPAC1 cAMP binding domain (149 to 318 residues) by fluorescence assay


J Med Chem 62: 5063-5079 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00258
BindingDB Entry DOI: 10.7270/Q2988BF5
More data for this
Ligand-Target Pair
Rap guanine nucleotide exchange factor 3


(Homo sapiens (Human))
BDBM50011360
PNG
(CHEMBL3260990)
Show SMILES CC(C)(C)c1cc(no1)C(=O)C(=N\Nc1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+
PDB

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CHEMBL
MCE
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Article
PubMed
n/an/an/a 2.00E+4n/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Binding affinity to human EPAC1 cAMP binding domain (149 to 318 residues) using aggregate form of compound by [15N-1H]HSQC spectroscopic analysis


J Med Chem 62: 5063-5079 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00258
BindingDB Entry DOI: 10.7270/Q2988BF5
More data for this
Ligand-Target Pair