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BDBM50167418 4-(2-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneamino)pyrimidin-4-ylamino)benzenesulfonamide::4-(2-{[1-(6-Methyl-4-oxo-4H-chromen-3-yl)-meth-(E)-ylidene]-amino}-pyrimidin-4-ylamino)-benzenesulfonamide::CHEMBL372497

SMILES: Cc1ccc2occ(\C=N\c3nccc(Nc4ccc(cc4)S(N)(=O)=O)n3)c(=O)c2c1

InChI Key: InChIKey=DTGFVTKWZXIWGH-BHGWPJFGSA-N

Data: 5 KI

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 5 hits for monomerid = 50167418   
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 anhydrase 12


(Homo sapiens (Human))
BDBM50167418
PNG
(4-(2-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneami...)
Show SMILES Cc1ccc2occ(\C=N\c3nccc(Nc4ccc(cc4)S(N)(=O)=O)n3)c(=O)c2c1
Show InChI InChI=1S/C21H17N5O4S/c1-13-2-7-18-17(10-13)20(27)14(12-30-18)11-24-21-23-9-8-19(26-21)25-15-3-5-16(6-4-15)31(22,28)29/h2-12H,1H3,(H2,22,28,29)(H,23,25,26)/b24-11+
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19n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
BindingDB Entry DOI: 10.7270/Q27M07FQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167418
PNG
(4-(2-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneami...)
Show SMILES Cc1ccc2occ(\C=N\c3nccc(Nc4ccc(cc4)S(N)(=O)=O)n3)c(=O)c2c1
Show InChI InChI=1S/C21H17N5O4S/c1-13-2-7-18-17(10-13)20(27)14(12-30-18)11-24-21-23-9-8-19(26-21)25-15-3-5-16(6-4-15)31(22,28)29/h2-12H,1H3,(H2,22,28,29)(H,23,25,26)/b24-11+
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24n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
BindingDB Entry DOI: 10.7270/Q27M07FQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167418
PNG
(4-(2-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneami...)
Show SMILES Cc1ccc2occ(\C=N\c3nccc(Nc4ccc(cc4)S(N)(=O)=O)n3)c(=O)c2c1
Show InChI InChI=1S/C21H17N5O4S/c1-13-2-7-18-17(10-13)20(27)14(12-30-18)11-24-21-23-9-8-19(26-21)25-15-3-5-16(6-4-15)31(22,28)29/h2-12H,1H3,(H2,22,28,29)(H,23,25,26)/b24-11+
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32n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
BindingDB Entry DOI: 10.7270/Q27M07FQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167418
PNG
(4-(2-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneami...)
Show SMILES Cc1ccc2occ(\C=N\c3nccc(Nc4ccc(cc4)S(N)(=O)=O)n3)c(=O)c2c1
Show InChI InChI=1S/C21H17N5O4S/c1-13-2-7-18-17(10-13)20(27)14(12-30-18)11-24-21-23-9-8-19(26-21)25-15-3-5-16(6-4-15)31(22,28)29/h2-12H,1H3,(H2,22,28,29)(H,23,25,26)/b24-11+
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41n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
BindingDB Entry DOI: 10.7270/Q27M07FQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167418
PNG
(4-(2-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneami...)
Show SMILES Cc1ccc2occ(\C=N\c3nccc(Nc4ccc(cc4)S(N)(=O)=O)n3)c(=O)c2c1
Show InChI InChI=1S/C21H17N5O4S/c1-13-2-7-18-17(10-13)20(27)14(12-30-18)11-24-21-23-9-8-19(26-21)25-15-3-5-16(6-4-15)31(22,28)29/h2-12H,1H3,(H2,22,28,29)(H,23,25,26)/b24-11+
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4.10E+10n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration


Eur J Med Chem 44: 3439-44 (2009)


Article DOI: 10.1016/j.ejmech.2009.02.016
BindingDB Entry DOI: 10.7270/Q26W9DWG
More data for this
Ligand-Target Pair