BDBM50292023 CHEMBL1795060::CHEMBL35495::{(2-{Carboxymethyl-[(3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-2-ylidenecarbamoyl)-methyl]-amino}-ethyl)-[(3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-2-ylidenecarbamoyl)-methyl]-amino}-acetic acid::{(2-{Carboxymethyl-[(3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-2-ylidenecarbamoyl)-methyl]-amino}-ethyl)-[(3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-2-ylidenecarbamoyl)-methyl]-amino}-acetic acid; compound with Zn complex

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

InChI Key: InChIKey=ODWSOTDOGQCHBR-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 = 50292023   

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))	BDBM50292023 (CHEMBL1795060 | CHEMBL35495 | {(2-{Carboxymethyl-[...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)S(N)(=O)=O |w:21.21,6.7| Show InChI InChI=1S/C16H24N10O10S4/c1-23-13(37-15(21-23)39(17,33)34)19-9(27)5-25(7-11(29)30)3-4-26(8-12(31)32)6-10(28)20-14-24(2)22-16(38-14)40(18,35)36/h3-8H2,1-2H3,(H,29,30)(H,31,32)(H2,17,33,34)(H2,18,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	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))	BDBM50292023 (CHEMBL1795060 | CHEMBL35495 | {(2-{Carboxymethyl-[...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)S(N)(=O)=O |w:21.21,6.7| Show InChI InChI=1S/C16H24N10O10S4/c1-23-13(37-15(21-23)39(17,33)34)19-9(27)5-25(7-11(29)30)3-4-26(8-12(31)32)6-10(28)20-14-24(2)22-16(38-14)40(18,35)36/h3-8H2,1-2H3,(H,29,30)(H,31,32)(H2,17,33,34)(H2,18,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	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))	BDBM50292023 (CHEMBL1795060 | CHEMBL35495 | {(2-{Carboxymethyl-[...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)S(N)(=O)=O |w:21.21,6.7| Show InChI InChI=1S/C16H24N10O10S4/c1-23-13(37-15(21-23)39(17,33)34)19-9(27)5-25(7-11(29)30)3-4-26(8-12(31)32)6-10(28)20-14-24(2)22-16(38-14)40(18,35)36/h3-8H2,1-2H3,(H,29,30)(H,31,32)(H2,17,33,34)(H2,18,35,36)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	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))	BDBM50292023 (CHEMBL1795060 | CHEMBL35495 | {(2-{Carboxymethyl-[...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)S(N)(=O)=O |w:21.21,6.7| Show InChI InChI=1S/C16H24N10O10S4/c1-23-13(37-15(21-23)39(17,33)34)19-9(27)5-25(7-11(29)30)3-4-26(8-12(31)32)6-10(28)20-14-24(2)22-16(38-14)40(18,35)36/h3-8H2,1-2H3,(H,29,30)(H,31,32)(H2,17,33,34)(H2,18,35,36)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	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))	BDBM50292023 (CHEMBL1795060 | CHEMBL35495 | {(2-{Carboxymethyl-[...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)S(N)(=O)=O |w:21.21,6.7| Show InChI InChI=1S/C16H24N10O10S4/c1-23-13(37-15(21-23)39(17,33)34)19-9(27)5-25(7-11(29)30)3-4-26(8-12(31)32)6-10(28)20-14-24(2)22-16(38-14)40(18,35)36/h3-8H2,1-2H3,(H,29,30)(H,31,32)(H2,17,33,34)(H2,18,35,36)	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	40	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))	BDBM50292023 (CHEMBL1795060 | CHEMBL35495 | {(2-{Carboxymethyl-[...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)S(N)(=O)=O |w:21.21,6.7| Show InChI InChI=1S/C16H24N10O10S4/c1-23-13(37-15(21-23)39(17,33)34)19-9(27)5-25(7-11(29)30)3-4-26(8-12(31)32)6-10(28)20-14-24(2)22-16(38-14)40(18,35)36/h3-8H2,1-2H3,(H,29,30)(H,31,32)(H2,17,33,34)(H2,18,35,36)	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	105	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