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BDBM50235693 CHEMBL4067617

SMILES: CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1

InChI Key: InChIKey=JMWNCVXIRFFUJT-UHFFFAOYSA-N

Data: 4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50235693   
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
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235693
PNG
(CHEMBL4067617)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H17N7O6S2/c1-14(34)24-30-32(16-8-10-18(11-9-16)41(27,38)39)26-29-23-22(25(35)31(24)26)19(13-20(28-23)21-3-2-12-40-21)15-4-6-17(7-5-15)33(36)37/h2-13H,1H3,(H2,27,38,39)
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Article
PubMed
160n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes


Bioorg Med Chem 25: 2210-2217 (2017)


Article DOI: 10.1016/j.bmc.2017.02.037
BindingDB Entry DOI: 10.7270/Q2SX6GGD
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235693
PNG
(CHEMBL4067617)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H17N7O6S2/c1-14(34)24-30-32(16-8-10-18(11-9-16)41(27,38)39)26-29-23-22(25(35)31(24)26)19(13-20(28-23)21-3-2-12-40-21)15-4-6-17(7-5-15)33(36)37/h2-13H,1H3,(H2,27,38,39)
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200n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced human platelet aggregation


Bioorg Med Chem 25: 2210-2217 (2017)


Article DOI: 10.1016/j.bmc.2017.02.037
BindingDB Entry DOI: 10.7270/Q2SX6GGD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50235693
PNG
(CHEMBL4067617)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H17N7O6S2/c1-14(34)24-30-32(16-8-10-18(11-9-16)41(27,38)39)26-29-23-22(25(35)31(24)26)19(13-20(28-23)21-3-2-12-40-21)15-4-6-17(7-5-15)33(36)37/h2-13H,1H3,(H2,27,38,39)
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Article
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500n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...


Bioorg Med Chem 25: 2210-2217 (2017)


Article DOI: 10.1016/j.bmc.2017.02.037
BindingDB Entry DOI: 10.7270/Q2SX6GGD
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235693
PNG
(CHEMBL4067617)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H17N7O6S2/c1-14(34)24-30-32(16-8-10-18(11-9-16)41(27,38)39)26-29-23-22(25(35)31(24)26)19(13-20(28-23)21-3-2-12-40-21)15-4-6-17(7-5-15)33(36)37/h2-13H,1H3,(H2,27,38,39)
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Article
PubMed
3.02E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...


Bioorg Med Chem 25: 2210-2217 (2017)


Article DOI: 10.1016/j.bmc.2017.02.037
BindingDB Entry DOI: 10.7270/Q2SX6GGD
More data for this
Ligand-Target Pair