BDBM50190239 CHEMBL215548::N-benzyl-4-{[4-(benzylcarbamoyl)-5-chloro-2-sulfamoylphenyl]disulfanyl}-2-chloro-5-sulfamoylbenzamide

SMILES: NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1SSc1cc(Cl)c(cc1S(N)(=O)=O)C(=O)NCc1ccccc1

InChI Key: InChIKey=OOFZWRMOKSACHV-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 = 50190239   

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))	BDBM50190239 (CHEMBL215548 | N-benzyl-4-{[4-(benzylcarbamoyl)-5-...) Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1SSc1cc(Cl)c(cc1S(N)(=O)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C28H24Cl2N4O6S4/c29-21-13-23(25(43(31,37)38)11-19(21)27(35)33-15-17-7-3-1-4-8-17)41-42-24-14-22(30)20(12-26(24)44(32,39)40)28(36)34-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,33,35)(H,34,36)(H2,31,37,38)(H2,32,39,40)	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	6.10E+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 12 (Homo sapiens (Human))	BDBM50190239 (CHEMBL215548 | N-benzyl-4-{[4-(benzylcarbamoyl)-5-...) Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1SSc1cc(Cl)c(cc1S(N)(=O)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C28H24Cl2N4O6S4/c29-21-13-23(25(43(31,37)38)11-19(21)27(35)33-15-17-7-3-1-4-8-17)41-42-24-14-22(30)20(12-26(24)44(32,39)40)28(36)34-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,33,35)(H,34,36)(H2,31,37,38)(H2,32,39,40)	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))	BDBM50190239 (CHEMBL215548 | N-benzyl-4-{[4-(benzylcarbamoyl)-5-...) Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1SSc1cc(Cl)c(cc1S(N)(=O)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C28H24Cl2N4O6S4/c29-21-13-23(25(43(31,37)38)11-19(21)27(35)33-15-17-7-3-1-4-8-17)41-42-24-14-22(30)20(12-26(24)44(32,39)40)28(36)34-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,33,35)(H,34,36)(H2,31,37,38)(H2,32,39,40)	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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50190239 (CHEMBL215548 | N-benzyl-4-{[4-(benzylcarbamoyl)-5-...) Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1SSc1cc(Cl)c(cc1S(N)(=O)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C28H24Cl2N4O6S4/c29-21-13-23(25(43(31,37)38)11-19(21)27(35)33-15-17-7-3-1-4-8-17)41-42-24-14-22(30)20(12-26(24)44(32,39)40)28(36)34-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,33,35)(H,34,36)(H2,31,37,38)(H2,32,39,40)	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	8.21E+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 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