BDBM50228324 CHEMBL1795058::CHEMBL34016::{(2-{Carboxymethyl-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid; compound with Zn complex::{(2-{carboxymethyl-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid

SMILES: NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1

InChI Key: InChIKey=RLBWTAMPOFOGFG-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50228324   

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))	BDBM50228324 (CHEMBL1795058 | CHEMBL34016 | {(2-{Carboxymethyl-[...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H28N6O10S2/c23-39(35,36)17-5-1-15(2-6-17)25-19(29)11-27(13-21(31)32)9-10-28(14-22(33)34)12-20(30)26-16-3-7-18(8-4-16)40(24,37)38/h1-8H,9-14H2,(H,25,29)(H,26,30)(H,31,32)(H,33,34)(H2,23,35,36)(H2,24,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 by CO2 hydration stopped flow assay				Bioorg Med Chem Lett 18: 836-41 (2008) Article DOI: 10.1016/j.bmcl.2007.11.025 BindingDB Entry DOI: 10.7270/Q2JH3N16
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50228324 (CHEMBL1795058 | CHEMBL34016 | {(2-{Carboxymethyl-[...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H28N6O10S2/c23-39(35,36)17-5-1-15(2-6-17)25-19(29)11-27(13-21(31)32)9-10-28(14-22(33)34)12-20(30)26-16-3-7-18(8-4-16)40(24,37)38/h1-8H,9-14H2,(H,25,29)(H,26,30)(H,31,32)(H,33,34)(H2,23,35,36)(H2,24,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 by CO2 hydration stopped flow assay				Bioorg Med Chem Lett 18: 836-41 (2008) Article DOI: 10.1016/j.bmcl.2007.11.025 BindingDB Entry DOI: 10.7270/Q2JH3N16
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50228324 (CHEMBL1795058 | CHEMBL34016 | {(2-{Carboxymethyl-[...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H28N6O10S2/c23-39(35,36)17-5-1-15(2-6-17)25-19(29)11-27(13-21(31)32)9-10-28(14-22(33)34)12-20(30)26-16-3-7-18(8-4-16)40(24,37)38/h1-8H,9-14H2,(H,25,29)(H,26,30)(H,31,32)(H,33,34)(H2,23,35,36)(H2,24,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 by CO2 hydration stopped flow assay				Bioorg Med Chem Lett 18: 836-41 (2008) Article DOI: 10.1016/j.bmcl.2007.11.025 BindingDB Entry DOI: 10.7270/Q2JH3N16
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50228324 (CHEMBL1795058 | CHEMBL34016 | {(2-{Carboxymethyl-[...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H28N6O10S2/c23-39(35,36)17-5-1-15(2-6-17)25-19(29)11-27(13-21(31)32)9-10-28(14-22(33)34)12-20(30)26-16-3-7-18(8-4-16)40(24,37)38/h1-8H,9-14H2,(H,25,29)(H,26,30)(H,31,32)(H,33,34)(H2,23,35,36)(H2,24,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by CO2 hydration stopped flow assay				Bioorg Med Chem Lett 18: 836-41 (2008) Article DOI: 10.1016/j.bmcl.2007.11.025 BindingDB Entry DOI: 10.7270/Q2JH3N16
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50228324 (CHEMBL1795058 | CHEMBL34016 | {(2-{Carboxymethyl-[...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H28N6O10S2/c23-39(35,36)17-5-1-15(2-6-17)25-19(29)11-27(13-21(31)32)9-10-28(14-22(33)34)12-20(30)26-16-3-7-18(8-4-16)40(24,37)38/h1-8H,9-14H2,(H,25,29)(H,26,30)(H,31,32)(H,33,34)(H2,23,35,36)(H2,24,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against Human carbonic anhydrase II				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50228324 (CHEMBL1795058 | CHEMBL34016 | {(2-{Carboxymethyl-[...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H28N6O10S2/c23-39(35,36)17-5-1-15(2-6-17)25-19(29)11-27(13-21(31)32)9-10-28(14-22(33)34)12-20(30)26-16-3-7-18(8-4-16)40(24,37)38/h1-8H,9-14H2,(H,25,29)(H,26,30)(H,31,32)(H,33,34)(H2,23,35,36)(H2,24,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against Human carbonic anhydrase II				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50228324 (CHEMBL1795058 | CHEMBL34016 | {(2-{Carboxymethyl-[...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H28N6O10S2/c23-39(35,36)17-5-1-15(2-6-17)25-19(29)11-27(13-21(31)32)9-10-28(14-22(33)34)12-20(30)26-16-3-7-18(8-4-16)40(24,37)38/h1-8H,9-14H2,(H,25,29)(H,26,30)(H,31,32)(H,33,34)(H2,23,35,36)(H2,24,37,38)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against bovine carbonic anhydrase IV				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50228324 (CHEMBL1795058 | CHEMBL34016 | {(2-{Carboxymethyl-[...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H28N6O10S2/c23-39(35,36)17-5-1-15(2-6-17)25-19(29)11-27(13-21(31)32)9-10-28(14-22(33)34)12-20(30)26-16-3-7-18(8-4-16)40(24,37)38/h1-8H,9-14H2,(H,25,29)(H,26,30)(H,31,32)(H,33,34)(H2,23,35,36)(H2,24,37,38)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against bovine carbonic anhydrase IV				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50228324 (CHEMBL1795058 | CHEMBL34016 | {(2-{Carboxymethyl-[...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H28N6O10S2/c23-39(35,36)17-5-1-15(2-6-17)25-19(29)11-27(13-21(31)32)9-10-28(14-22(33)34)12-20(30)26-16-3-7-18(8-4-16)40(24,37)38/h1-8H,9-14H2,(H,25,29)(H,26,30)(H,31,32)(H,33,34)(H2,23,35,36)(H2,24,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against Human carbonic anhydrase I				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50228324 (CHEMBL1795058 | CHEMBL34016 | {(2-{Carboxymethyl-[...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H28N6O10S2/c23-39(35,36)17-5-1-15(2-6-17)25-19(29)11-27(13-21(31)32)9-10-28(14-22(33)34)12-20(30)26-16-3-7-18(8-4-16)40(24,37)38/h1-8H,9-14H2,(H,25,29)(H,26,30)(H,31,32)(H,33,34)(H2,23,35,36)(H2,24,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against Human carbonic anhydrase I				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair