BDBM50190255 2-(aminosulfonyl)-5-chloro-4-methylphenyl N-(4-nitrophenyl)benzenecarbohydrazonothioate::CHEMBL385195

SMILES: Cc1cc(c(SC(=NNc2ccc(cc2)[N+]([O-])=O)c2ccccc2)cc1Cl)S(N)(=O)=O

InChI Key: InChIKey=QFJGKFOVRSXICQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50190255   

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))	BDBM50190255 (2-(aminosulfonyl)-5-chloro-4-methylphenyl N-(4-nit...) Show SMILES Cc1cc(c(SC(=NNc2ccc(cc2)[N+]([O-])=O)c2ccccc2)cc1Cl)S(N)(=O)=O |w:7.7| Show InChI InChI=1S/C20H17ClN4O4S2/c1-13-11-19(31(22,28)29)18(12-17(13)21)30-20(14-5-3-2-4-6-14)24-23-15-7-9-16(10-8-15)25(26)27/h2-12,23H,1H3,(H2,22,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA12 catalytic domain by CO2 hydration assay				Bioorg Med Chem Lett 16: 4846-51 (2006) Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50190255 (2-(aminosulfonyl)-5-chloro-4-methylphenyl N-(4-nit...) Show SMILES Cc1cc(c(SC(=NNc2ccc(cc2)[N+]([O-])=O)c2ccccc2)cc1Cl)S(N)(=O)=O |w:7.7| Show InChI InChI=1S/C20H17ClN4O4S2/c1-13-11-19(31(22,28)29)18(12-17(13)21)30-20(14-5-3-2-4-6-14)24-23-15-7-9-16(10-8-15)25(26)27/h2-12,23H,1H3,(H2,22,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA2 by CO2 hydration assay				Bioorg Med Chem Lett 16: 4846-51 (2006) Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50190255 (2-(aminosulfonyl)-5-chloro-4-methylphenyl N-(4-nit...) Show SMILES Cc1cc(c(SC(=NNc2ccc(cc2)[N+]([O-])=O)c2ccccc2)cc1Cl)S(N)(=O)=O |w:7.7| Show InChI InChI=1S/C20H17ClN4O4S2/c1-13-11-19(31(22,28)29)18(12-17(13)21)30-20(14-5-3-2-4-6-14)24-23-15-7-9-16(10-8-15)25(26)27/h2-12,23H,1H3,(H2,22,28,29)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA9 catalytic domain by CO2 hydration assay				Bioorg Med Chem Lett 16: 4846-51 (2006) Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50190255 (2-(aminosulfonyl)-5-chloro-4-methylphenyl N-(4-nit...) Show SMILES Cc1cc(c(SC(=NNc2ccc(cc2)[N+]([O-])=O)c2ccccc2)cc1Cl)S(N)(=O)=O |w:7.7| Show InChI InChI=1S/C20H17ClN4O4S2/c1-13-11-19(31(22,28)29)18(12-17(13)21)30-20(14-5-3-2-4-6-14)24-23-15-7-9-16(10-8-15)25(26)27/h2-12,23H,1H3,(H2,22,28,29)	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	3.79E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA1 by CO2 hydration assay				Bioorg Med Chem Lett 16: 4846-51 (2006) Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493
					More data for this Ligand-Target Pair