BDBM50097289 ((2-{Carboxymethyl-[2-(carboxymethyl-{[3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-(2Z)-ylidenecarbamoyl]-methyl}-amino)-ethyl]-amino}-ethyl)-{[3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-(2E)-ylidenecarbamoyl]-methyl}-amino)-acetic acid::CHEMBL154106::CHEMBL1795056::CHEMBL35367::Zinc; {{2-[Carboxymethyl-(2-{carboxymethyl-[(3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-2-ylidenecarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-[(3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-2-ylidenecarbamoyl)-methyl]-amino}-acetic acid

SMILES: Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O

InChI Key: InChIKey=XBLYYDDTTORRLT-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50097289   

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))	BDBM50097289 (((2-{Carboxymethyl-[2-(carboxymethyl-{[3-methyl-5-...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:24.24,6.7| Show InChI InChI=1S/C20H31N11O12S4/c1-27-17(44-19(25-27)46(21,40)41)23-12(32)7-30(10-15(36)37)5-3-29(9-14(34)35)4-6-31(11-16(38)39)8-13(33)24-18-28(2)26-20(45-18)47(22,42)43/h3-11H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H2,21,40,41)(H2,22,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	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))	BDBM50097289 (((2-{Carboxymethyl-[2-(carboxymethyl-{[3-methyl-5-...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:24.24,6.7| Show InChI InChI=1S/C20H31N11O12S4/c1-27-17(44-19(25-27)46(21,40)41)23-12(32)7-30(10-15(36)37)5-3-29(9-14(34)35)4-6-31(11-16(38)39)8-13(33)24-18-28(2)26-20(45-18)47(22,42)43/h3-11H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H2,21,40,41)(H2,22,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	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 2 (Homo sapiens (Human))	BDBM50097289 (((2-{Carboxymethyl-[2-(carboxymethyl-{[3-methyl-5-...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:24.24,6.7| Show InChI InChI=1S/C20H31N11O12S4/c1-27-17(44-19(25-27)46(21,40)41)23-12(32)7-30(10-15(36)37)5-3-29(9-14(34)35)4-6-31(11-16(38)39)8-13(33)24-18-28(2)26-20(45-18)47(22,42)43/h3-11H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H2,21,40,41)(H2,22,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	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))	BDBM50097289 (((2-{Carboxymethyl-[2-(carboxymethyl-{[3-methyl-5-...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:24.24,6.7| Show InChI InChI=1S/C20H31N11O12S4/c1-27-17(44-19(25-27)46(21,40)41)23-12(32)7-30(10-15(36)37)5-3-29(9-14(34)35)4-6-31(11-16(38)39)8-13(33)24-18-28(2)26-20(45-18)47(22,42)43/h3-11H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H2,21,40,41)(H2,22,42,43)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	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 4 (Homo sapiens (Human))	BDBM50097289 (((2-{Carboxymethyl-[2-(carboxymethyl-{[3-methyl-5-...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:24.24,6.7| Show InChI InChI=1S/C20H31N11O12S4/c1-27-17(44-19(25-27)46(21,40)41)23-12(32)7-30(10-15(36)37)5-3-29(9-14(34)35)4-6-31(11-16(38)39)8-13(33)24-18-28(2)26-20(45-18)47(22,42)43/h3-11H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H2,21,40,41)(H2,22,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	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 IV (Bos taurus (bovine))	BDBM50097289 (((2-{Carboxymethyl-[2-(carboxymethyl-{[3-methyl-5-...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:24.24,6.7| Show InChI InChI=1S/C20H31N11O12S4/c1-27-17(44-19(25-27)46(21,40)41)23-12(32)7-30(10-15(36)37)5-3-29(9-14(34)35)4-6-31(11-16(38)39)8-13(33)24-18-28(2)26-20(45-18)47(22,42)43/h3-11H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H2,21,40,41)(H2,22,42,43)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	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))	BDBM50097289 (((2-{Carboxymethyl-[2-(carboxymethyl-{[3-methyl-5-...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:24.24,6.7| Show InChI InChI=1S/C20H31N11O12S4/c1-27-17(44-19(25-27)46(21,40)41)23-12(32)7-30(10-15(36)37)5-3-29(9-14(34)35)4-6-31(11-16(38)39)8-13(33)24-18-28(2)26-20(45-18)47(22,42)43/h3-11H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H2,21,40,41)(H2,22,42,43)	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	43	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))	BDBM50097289 (((2-{Carboxymethyl-[2-(carboxymethyl-{[3-methyl-5-...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:24.24,6.7| Show InChI InChI=1S/C20H31N11O12S4/c1-27-17(44-19(25-27)46(21,40)41)23-12(32)7-30(10-15(36)37)5-3-29(9-14(34)35)4-6-31(11-16(38)39)8-13(33)24-18-28(2)26-20(45-18)47(22,42)43/h3-11H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H2,21,40,41)(H2,22,42,43)	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	54	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))	BDBM50097289 (((2-{Carboxymethyl-[2-(carboxymethyl-{[3-methyl-5-...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:24.24,6.7| Show InChI InChI=1S/C20H31N11O12S4/c1-27-17(44-19(25-27)46(21,40)41)23-12(32)7-30(10-15(36)37)5-3-29(9-14(34)35)4-6-31(11-16(38)39)8-13(33)24-18-28(2)26-20(45-18)47(22,42)43/h3-11H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H2,21,40,41)(H2,22,42,43)	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	54	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