BDBM50097283 CHEMBL284831::{{2-[Carboxymethyl-(2-{carboxymethyl-[(5-chloro-2,4-disulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-[(5-chloro-2,4-disulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid

SMILES: NS(=O)(=O)c1cc(c(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2cc(Cl)c(cc2S(N)(=O)=O)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1Cl)S(N)(=O)=O

InChI Key: InChIKey=JWOPUHDTBVCEEZ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50097283   

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))	BDBM50097283 (CHEMBL284831 | {{2-[Carboxymethyl-(2-{carboxymethy...) Show SMILES NS(=O)(=O)c1cc(c(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2cc(Cl)c(cc2S(N)(=O)=O)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C26H35Cl2N9O16S4/c27-14-5-16(20(56(31,50)51)7-18(14)54(29,46)47)33-22(38)9-36(12-25(42)43)3-1-35(11-24(40)41)2-4-37(13-26(44)45)10-23(39)34-17-6-15(28)19(55(30,48)49)8-21(17)57(32,52)53/h5-8H,1-4,9-13H2,(H,33,38)(H,34,39)(H,40,41)(H,42,43)(H,44,45)(H2,29,46,47)(H2,30,48,49)(H2,31,50,51)(H2,32,52,53)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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))	BDBM50097283 (CHEMBL284831 | {{2-[Carboxymethyl-(2-{carboxymethy...) Show SMILES NS(=O)(=O)c1cc(c(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2cc(Cl)c(cc2S(N)(=O)=O)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C26H35Cl2N9O16S4/c27-14-5-16(20(56(31,50)51)7-18(14)54(29,46)47)33-22(38)9-36(12-25(42)43)3-1-35(11-24(40)41)2-4-37(13-26(44)45)10-23(39)34-17-6-15(28)19(55(30,48)49)8-21(17)57(32,52)53/h5-8H,1-4,9-13H2,(H,33,38)(H,34,39)(H,40,41)(H,42,43)(H,44,45)(H2,29,46,47)(H2,30,48,49)(H2,31,50,51)(H2,32,52,53)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of cloned isozyme, human carbonic anhydrase II				Bioorg Med Chem Lett 11: 575-82 (2001) BindingDB Entry DOI: 10.7270/Q2KW5GJQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50097283 (CHEMBL284831 | {{2-[Carboxymethyl-(2-{carboxymethy...) Show SMILES NS(=O)(=O)c1cc(c(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2cc(Cl)c(cc2S(N)(=O)=O)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C26H35Cl2N9O16S4/c27-14-5-16(20(56(31,50)51)7-18(14)54(29,46)47)33-22(38)9-36(12-25(42)43)3-1-35(11-24(40)41)2-4-37(13-26(44)45)10-23(39)34-17-6-15(28)19(55(30,48)49)8-21(17)57(32,52)53/h5-8H,1-4,9-13H2,(H,33,38)(H,34,39)(H,40,41)(H,42,43)(H,44,45)(H2,29,46,47)(H2,30,48,49)(H2,31,50,51)(H2,32,52,53)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of cloned isozyme, human carbonic anhydrase IV				Bioorg Med Chem Lett 11: 575-82 (2001) BindingDB Entry DOI: 10.7270/Q2KW5GJQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Bos taurus (bovine))	BDBM50097283 (CHEMBL284831 | {{2-[Carboxymethyl-(2-{carboxymethy...) Show SMILES NS(=O)(=O)c1cc(c(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2cc(Cl)c(cc2S(N)(=O)=O)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C26H35Cl2N9O16S4/c27-14-5-16(20(56(31,50)51)7-18(14)54(29,46)47)33-22(38)9-36(12-25(42)43)3-1-35(11-24(40)41)2-4-37(13-26(44)45)10-23(39)34-17-6-15(28)19(55(30,48)49)8-21(17)57(32,52)53/h5-8H,1-4,9-13H2,(H,33,38)(H,34,39)(H,40,41)(H,42,43)(H,44,45)(H2,29,46,47)(H2,30,48,49)(H2,31,50,51)(H2,32,52,53)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	41	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))	BDBM50097283 (CHEMBL284831 | {{2-[Carboxymethyl-(2-{carboxymethy...) Show SMILES NS(=O)(=O)c1cc(c(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2cc(Cl)c(cc2S(N)(=O)=O)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C26H35Cl2N9O16S4/c27-14-5-16(20(56(31,50)51)7-18(14)54(29,46)47)33-22(38)9-36(12-25(42)43)3-1-35(11-24(40)41)2-4-37(13-26(44)45)10-23(39)34-17-6-15(28)19(55(30,48)49)8-21(17)57(32,52)53/h5-8H,1-4,9-13H2,(H,33,38)(H,34,39)(H,40,41)(H,42,43)(H,44,45)(H2,29,46,47)(H2,30,48,49)(H2,31,50,51)(H2,32,52,53)	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	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of cloned isozyme, human carbonic anhydrase I				Bioorg Med Chem Lett 11: 575-82 (2001) BindingDB Entry DOI: 10.7270/Q2KW5GJQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50097283 (CHEMBL284831 | {{2-[Carboxymethyl-(2-{carboxymethy...) Show SMILES NS(=O)(=O)c1cc(c(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2cc(Cl)c(cc2S(N)(=O)=O)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C26H35Cl2N9O16S4/c27-14-5-16(20(56(31,50)51)7-18(14)54(29,46)47)33-22(38)9-36(12-25(42)43)3-1-35(11-24(40)41)2-4-37(13-26(44)45)10-23(39)34-17-6-15(28)19(55(30,48)49)8-21(17)57(32,52)53/h5-8H,1-4,9-13H2,(H,33,38)(H,34,39)(H,40,41)(H,42,43)(H,44,45)(H2,29,46,47)(H2,30,48,49)(H2,31,50,51)(H2,32,52,53)	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	63	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