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BDBM50183802 CHEMBL379768::N-(4-(methylsulfonyl)phenyl)-N-(1-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)ethyl)cyclopropanecarboxamide

SMILES: CC(N(C(=O)C1CC1)c1ccc(cc1)S(C)(=O)=O)c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O

InChI Key: InChIKey=BVJRFNKHFQRJTE-UHFFFAOYSA-N

Data: 5 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50183802   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50183802
PNG
(CHEMBL379768 | N-(4-(methylsulfonyl)phenyl)-N-(1-(...)
Show SMILES CC(N(C(=O)C1CC1)c1ccc(cc1)S(C)(=O)=O)c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C32H34N2O5S2/c1-21(34(31(35)22-11-12-22)27-13-15-28(16-14-27)40(4,36)37)23-8-6-9-24(18-23)29-20-26(32(2,3)41(5,38)39)19-25-10-7-17-33-30(25)29/h6-10,13-22H,11-12H2,1-5H3
PDB

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Ability to block TNFalpha release through inhibition of PDE4 in LPS-stimulated human whole blood


Bioorg Med Chem Lett 16: 2608-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.043
BindingDB Entry DOI: 10.7270/Q2F18Z9N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50183802
PNG
(CHEMBL379768 | N-(4-(methylsulfonyl)phenyl)-N-(1-(...)
Show SMILES CC(N(C(=O)C1CC1)c1ccc(cc1)S(C)(=O)=O)c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C32H34N2O5S2/c1-21(34(31(35)22-11-12-22)27-13-15-28(16-14-27)40(4,36)37)23-8-6-9-24(18-23)29-20-26(32(2,3)41(5,38)39)19-25-10-7-17-33-30(25)29/h6-10,13-22H,11-12H2,1-5H3
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4B


Bioorg Med Chem Lett 16: 2608-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.043
BindingDB Entry DOI: 10.7270/Q2F18Z9N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50183802
PNG
(CHEMBL379768 | N-(4-(methylsulfonyl)phenyl)-N-(1-(...)
Show SMILES CC(N(C(=O)C1CC1)c1ccc(cc1)S(C)(=O)=O)c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C32H34N2O5S2/c1-21(34(31(35)22-11-12-22)27-13-15-28(16-14-27)40(4,36)37)23-8-6-9-24(18-23)29-20-26(32(2,3)41(5,38)39)19-25-10-7-17-33-30(25)29/h6-10,13-22H,11-12H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4C


Bioorg Med Chem Lett 16: 2608-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.043
BindingDB Entry DOI: 10.7270/Q2F18Z9N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50183802
PNG
(CHEMBL379768 | N-(4-(methylsulfonyl)phenyl)-N-(1-(...)
Show SMILES CC(N(C(=O)C1CC1)c1ccc(cc1)S(C)(=O)=O)c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C32H34N2O5S2/c1-21(34(31(35)22-11-12-22)27-13-15-28(16-14-27)40(4,36)37)23-8-6-9-24(18-23)29-20-26(32(2,3)41(5,38)39)19-25-10-7-17-33-30(25)29/h6-10,13-22H,11-12H2,1-5H3
PDB
MMDB

KEGG

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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4A


Bioorg Med Chem Lett 16: 2608-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.043
BindingDB Entry DOI: 10.7270/Q2F18Z9N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50183802
PNG
(CHEMBL379768 | N-(4-(methylsulfonyl)phenyl)-N-(1-(...)
Show SMILES CC(N(C(=O)C1CC1)c1ccc(cc1)S(C)(=O)=O)c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C32H34N2O5S2/c1-21(34(31(35)22-11-12-22)27-13-15-28(16-14-27)40(4,36)37)23-8-6-9-24(18-23)29-20-26(32(2,3)41(5,38)39)19-25-10-7-17-33-30(25)29/h6-10,13-22H,11-12H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4D


Bioorg Med Chem Lett 16: 2608-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.043
BindingDB Entry DOI: 10.7270/Q2F18Z9N
More data for this
Ligand-Target Pair