BDBM50228326 CHEMBL1795055::CHEMBL285436::{(2-{Carboxymethyl-[(4-sulfamoyl-benzylcarbamoyl)-methyl]-amino}-ethyl)-[(4-sulfamoyl-benzylcarbamoyl)-methyl]-amino}-acetic acid::{(2-{Carboxymethyl-[(4-sulfamoyl-benzylcarbamoyl)-methyl]-amino}-ethyl)-[(4-sulfamoyl-benzylcarbamoyl)-methyl]-amino}-acetic acid; compound with Zn complex

SMILES: NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CC(O)=O)CC(=O)NCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1

InChI Key: InChIKey=GMDCWQKESXVLDQ-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 = 50228326   

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))	BDBM50228326 (CHEMBL1795055 | CHEMBL285436 | {(2-{Carboxymethyl-...) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CC(O)=O)CC(=O)NCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C24H32N6O10S2/c25-41(37,38)19-5-1-17(2-6-19)11-27-21(31)13-29(15-23(33)34)9-10-30(16-24(35)36)14-22(32)28-12-18-3-7-20(8-4-18)42(26,39)40/h1-8H,9-16H2,(H,27,31)(H,28,32)(H,33,34)(H,35,36)(H2,25,37,38)(H2,26,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.890	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 12 (Homo sapiens (Human))	BDBM50228326 (CHEMBL1795055 | CHEMBL285436 | {(2-{Carboxymethyl-...) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CC(O)=O)CC(=O)NCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C24H32N6O10S2/c25-41(37,38)19-5-1-17(2-6-19)11-27-21(31)13-29(15-23(33)34)9-10-30(16-24(35)36)14-22(32)28-12-18-3-7-20(8-4-18)42(26,39)40/h1-8H,9-16H2,(H,27,31)(H,28,32)(H,33,34)(H,35,36)(H2,25,37,38)(H2,26,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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 2 (Homo sapiens (Human))	BDBM50228326 (CHEMBL1795055 | CHEMBL285436 | {(2-{Carboxymethyl-...) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CC(O)=O)CC(=O)NCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C24H32N6O10S2/c25-41(37,38)19-5-1-17(2-6-19)11-27-21(31)13-29(15-23(33)34)9-10-30(16-24(35)36)14-22(32)28-12-18-3-7-20(8-4-18)42(26,39)40/h1-8H,9-16H2,(H,27,31)(H,28,32)(H,33,34)(H,35,36)(H2,25,37,38)(H2,26,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	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 9 (Homo sapiens (Human))	BDBM50228326 (CHEMBL1795055 | CHEMBL285436 | {(2-{Carboxymethyl-...) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CC(O)=O)CC(=O)NCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C24H32N6O10S2/c25-41(37,38)19-5-1-17(2-6-19)11-27-21(31)13-29(15-23(33)34)9-10-30(16-24(35)36)14-22(32)28-12-18-3-7-20(8-4-18)42(26,39)40/h1-8H,9-16H2,(H,27,31)(H,28,32)(H,33,34)(H,35,36)(H2,25,37,38)(H2,26,39,40)	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	7.30	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 IV (Bos taurus (bovine))	BDBM50228326 (CHEMBL1795055 | CHEMBL285436 | {(2-{Carboxymethyl-...) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CC(O)=O)CC(=O)NCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C24H32N6O10S2/c25-41(37,38)19-5-1-17(2-6-19)11-27-21(31)13-29(15-23(33)34)9-10-30(16-24(35)36)14-22(32)28-12-18-3-7-20(8-4-18)42(26,39)40/h1-8H,9-16H2,(H,27,31)(H,28,32)(H,33,34)(H,35,36)(H2,25,37,38)(H2,26,39,40)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	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 2 (Homo sapiens (Human))	BDBM50228326 (CHEMBL1795055 | CHEMBL285436 | {(2-{Carboxymethyl-...) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CC(O)=O)CC(=O)NCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C24H32N6O10S2/c25-41(37,38)19-5-1-17(2-6-19)11-27-21(31)13-29(15-23(33)34)9-10-30(16-24(35)36)14-22(32)28-12-18-3-7-20(8-4-18)42(26,39)40/h1-8H,9-16H2,(H,27,31)(H,28,32)(H,33,34)(H,35,36)(H2,25,37,38)(H2,26,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	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 1 (Homo sapiens (Human))	BDBM50228326 (CHEMBL1795055 | CHEMBL285436 | {(2-{Carboxymethyl-...) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CC(O)=O)CC(=O)NCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C24H32N6O10S2/c25-41(37,38)19-5-1-17(2-6-19)11-27-21(31)13-29(15-23(33)34)9-10-30(16-24(35)36)14-22(32)28-12-18-3-7-20(8-4-18)42(26,39)40/h1-8H,9-16H2,(H,27,31)(H,28,32)(H,33,34)(H,35,36)(H2,25,37,38)(H2,26,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	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 IV (Bos taurus (bovine))	BDBM50228326 (CHEMBL1795055 | CHEMBL285436 | {(2-{Carboxymethyl-...) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CC(O)=O)CC(=O)NCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C24H32N6O10S2/c25-41(37,38)19-5-1-17(2-6-19)11-27-21(31)13-29(15-23(33)34)9-10-30(16-24(35)36)14-22(32)28-12-18-3-7-20(8-4-18)42(26,39)40/h1-8H,9-16H2,(H,27,31)(H,28,32)(H,33,34)(H,35,36)(H2,25,37,38)(H2,26,39,40)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	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))	BDBM50228326 (CHEMBL1795055 | CHEMBL285436 | {(2-{Carboxymethyl-...) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CC(O)=O)CC(=O)NCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C24H32N6O10S2/c25-41(37,38)19-5-1-17(2-6-19)11-27-21(31)13-29(15-23(33)34)9-10-30(16-24(35)36)14-22(32)28-12-18-3-7-20(8-4-18)42(26,39)40/h1-8H,9-16H2,(H,27,31)(H,28,32)(H,33,34)(H,35,36)(H2,25,37,38)(H2,26,39,40)	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	438	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 1 (Homo sapiens (Human))	BDBM50228326 (CHEMBL1795055 | CHEMBL285436 | {(2-{Carboxymethyl-...) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CC(O)=O)CC(=O)NCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C24H32N6O10S2/c25-41(37,38)19-5-1-17(2-6-19)11-27-21(31)13-29(15-23(33)34)9-10-30(16-24(35)36)14-22(32)28-12-18-3-7-20(8-4-18)42(26,39)40/h1-8H,9-16H2,(H,27,31)(H,28,32)(H,33,34)(H,35,36)(H2,25,37,38)(H2,26,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	510	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