BDBM50167404 4-((4-oxo-4H-chromen-3-yl)methyleneamino)-6-(trifluoromethyl)benzene-1,3-disulfonamide::4-[(4-Oxo-4H-chromen-3-ylmethylene)-amino]-6-trifluoromethyl-benzene-1,3-disulfonic acid diamide::CHEMBL193924

SMILES: NS(=O)(=O)c1cc(c(cc1\N=C\c1coc2ccccc2c1=O)C(F)(F)F)S(N)(=O)=O

InChI Key: InChIKey=AKQUBCFUPRIFED-HCGXMYGOSA-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 = 50167404   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50167404 (4-((4-oxo-4H-chromen-3-yl)methyleneamino)-6-(trifl...) Show SMILES NS(=O)(=O)c1cc(c(cc1\N=C\c1coc2ccccc2c1=O)C(F)(F)F)S(N)(=O)=O Show InChI InChI=1S/C17H12F3N3O6S2/c18-17(19,20)11-5-12(15(31(22,27)28)6-14(11)30(21,25)26)23-7-9-8-29-13-4-2-1-3-10(13)16(9)24/h1-8H,(H2,21,25,26)(H2,22,27,28)/b23-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50167404 (4-((4-oxo-4H-chromen-3-yl)methyleneamino)-6-(trifl...) Show SMILES NS(=O)(=O)c1cc(c(cc1\N=C\c1coc2ccccc2c1=O)C(F)(F)F)S(N)(=O)=O Show InChI InChI=1S/C17H12F3N3O6S2/c18-17(19,20)11-5-12(15(31(22,27)28)6-14(11)30(21,25)26)23-7-9-8-29-13-4-2-1-3-10(13)16(9)24/h1-8H,(H2,21,25,26)(H2,22,27,28)/b23-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50167404 (4-((4-oxo-4H-chromen-3-yl)methyleneamino)-6-(trifl...) Show SMILES NS(=O)(=O)c1cc(c(cc1\N=C\c1coc2ccccc2c1=O)C(F)(F)F)S(N)(=O)=O Show InChI InChI=1S/C17H12F3N3O6S2/c18-17(19,20)11-5-12(15(31(22,27)28)6-14(11)30(21,25)26)23-7-9-8-29-13-4-2-1-3-10(13)16(9)24/h1-8H,(H2,21,25,26)(H2,22,27,28)/b23-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50167404 (4-((4-oxo-4H-chromen-3-yl)methyleneamino)-6-(trifl...) Show SMILES NS(=O)(=O)c1cc(c(cc1\N=C\c1coc2ccccc2c1=O)C(F)(F)F)S(N)(=O)=O Show InChI InChI=1S/C17H12F3N3O6S2/c18-17(19,20)11-5-12(15(31(22,27)28)6-14(11)30(21,25)26)23-7-9-8-29-13-4-2-1-3-10(13)16(9)24/h1-8H,(H2,21,25,26)(H2,22,27,28)/b23-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50167404 (4-((4-oxo-4H-chromen-3-yl)methyleneamino)-6-(trifl...) Show SMILES NS(=O)(=O)c1cc(c(cc1\N=C\c1coc2ccccc2c1=O)C(F)(F)F)S(N)(=O)=O Show InChI InChI=1S/C17H12F3N3O6S2/c18-17(19,20)11-5-12(15(31(22,27)28)6-14(11)30(21,25)26)23-7-9-8-29-13-4-2-1-3-10(13)16(9)24/h1-8H,(H2,21,25,26)(H2,22,27,28)/b23-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02E+11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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