BDBM50190246 CHEMBL384791::ethyl 2-chloro-4-{[5-chloro-4-(ethoxycarbonyl)-2-sulfamoylphenyl]disulfanyl}-5-sulfamoylbenzoate

SMILES: CCOC(=O)c1cc(c(SSc2cc(Cl)c(cc2S(N)(=O)=O)C(=O)OCC)cc1Cl)S(N)(=O)=O

InChI Key: InChIKey=OUGTYTGNEQNCJA-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 = 50190246   

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 2 (Homo sapiens (Human))	BDBM50190246 (CHEMBL384791 | ethyl 2-chloro-4-{[5-chloro-4-(etho...) Show SMILES CCOC(=O)c1cc(c(SSc2cc(Cl)c(cc2S(N)(=O)=O)C(=O)OCC)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C18H18Cl2N2O8S4/c1-3-29-17(23)9-5-15(33(21,25)26)13(7-11(9)19)31-32-14-8-12(20)10(18(24)30-4-2)6-16(14)34(22,27)28/h5-8H,3-4H2,1-2H3,(H2,21,25,26)(H2,22,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.57E+3	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 1 (Homo sapiens (Human))	BDBM50190246 (CHEMBL384791 | ethyl 2-chloro-4-{[5-chloro-4-(etho...) Show SMILES CCOC(=O)c1cc(c(SSc2cc(Cl)c(cc2S(N)(=O)=O)C(=O)OCC)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C18H18Cl2N2O8S4/c1-3-29-17(23)9-5-15(33(21,25)26)13(7-11(9)19)31-32-14-8-12(20)10(18(24)30-4-2)6-16(14)34(22,27)28/h5-8H,3-4H2,1-2H3,(H2,21,25,26)(H2,22,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.80E+3	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
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50190246 (CHEMBL384791 | ethyl 2-chloro-4-{[5-chloro-4-(etho...) Show SMILES CCOC(=O)c1cc(c(SSc2cc(Cl)c(cc2S(N)(=O)=O)C(=O)OCC)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C18H18Cl2N2O8S4/c1-3-29-17(23)9-5-15(33(21,25)26)13(7-11(9)19)31-32-14-8-12(20)10(18(24)30-4-2)6-16(14)34(22,27)28/h5-8H,3-4H2,1-2H3,(H2,21,25,26)(H2,22,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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 9 (Homo sapiens (Human))	BDBM50190246 (CHEMBL384791 | ethyl 2-chloro-4-{[5-chloro-4-(etho...) Show SMILES CCOC(=O)c1cc(c(SSc2cc(Cl)c(cc2S(N)(=O)=O)C(=O)OCC)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C18H18Cl2N2O8S4/c1-3-29-17(23)9-5-15(33(21,25)26)13(7-11(9)19)31-32-14-8-12(20)10(18(24)30-4-2)6-16(14)34(22,27)28/h5-8H,3-4H2,1-2H3,(H2,21,25,26)(H2,22,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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