BDBM50330332 CHEMBL1276022::Diethyl 2-(2-(3-(4-(ethoxycarbonyl)-5-phenyl-3-(5-sulfamoyl-1,3,4-thiadiazol-2-ylcarbamoyl)-1H-pyrazol-1-yl)phenyl)hydrazono)malonate

SMILES: [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-[#8]-[#6]-[#6])c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6]

InChI Key: InChIKey=IUCTWWGACJISNV-UHFFFAOYSA-N

Data: 2 KI  4 IC50

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 = 50330332   

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))	BDBM50330332 (CHEMBL1276022 | Diethyl 2-(2-(3-(4-(ethoxycarbonyl...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-[#8]-[#6]-[#6])c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H28N8O9S2/c1-4-43-24(38)19-20(23(37)30-27-33-34-28(46-27)47(29,41)42)35-36(22(19)16-11-8-7-9-12-16)18-14-10-13-17(15-18)31-32-21(25(39)44-5-2)26(40)45-6-3/h7-15,31H,4-6H2,1-3H3,(H2,29,41,42)(H,30,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330332 (CHEMBL1276022 | Diethyl 2-(2-(3-(4-(ethoxycarbonyl...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-[#8]-[#6]-[#6])c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H28N8O9S2/c1-4-43-24(38)19-20(23(37)30-27-33-34-28(46-27)47(29,41)42)35-36(22(19)16-11-8-7-9-12-16)18-14-10-13-17(15-18)31-32-21(25(39)44-5-2)26(40)45-6-3/h7-15,31H,4-6H2,1-3H3,(H2,29,41,42)(H,30,33,37)	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	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330332 (CHEMBL1276022 | Diethyl 2-(2-(3-(4-(ethoxycarbonyl...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-[#8]-[#6]-[#6])c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H28N8O9S2/c1-4-43-24(38)19-20(23(37)30-27-33-34-28(46-27)47(29,41)42)35-36(22(19)16-11-8-7-9-12-16)18-14-10-13-17(15-18)31-32-21(25(39)44-5-2)26(40)45-6-3/h7-15,31H,4-6H2,1-3H3,(H2,29,41,42)(H,30,33,37)	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	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330332 (CHEMBL1276022 | Diethyl 2-(2-(3-(4-(ethoxycarbonyl...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-[#8]-[#6]-[#6])c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H28N8O9S2/c1-4-43-24(38)19-20(23(37)30-27-33-34-28(46-27)47(29,41)42)35-36(22(19)16-11-8-7-9-12-16)18-14-10-13-17(15-18)31-32-21(25(39)44-5-2)26(40)45-6-3/h7-15,31H,4-6H2,1-3H3,(H2,29,41,42)(H,30,33,37)	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	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330332 (CHEMBL1276022 | Diethyl 2-(2-(3-(4-(ethoxycarbonyl...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-[#8]-[#6]-[#6])c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H28N8O9S2/c1-4-43-24(38)19-20(23(37)30-27-33-34-28(46-27)47(29,41)42)35-36(22(19)16-11-8-7-9-12-16)18-14-10-13-17(15-18)31-32-21(25(39)44-5-2)26(40)45-6-3/h7-15,31H,4-6H2,1-3H3,(H2,29,41,42)(H,30,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330332 (CHEMBL1276022 | Diethyl 2-(2-(3-(4-(ethoxycarbonyl...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-[#8]-[#6]-[#6])c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H28N8O9S2/c1-4-43-24(38)19-20(23(37)30-27-33-34-28(46-27)47(29,41)42)35-36(22(19)16-11-8-7-9-12-16)18-14-10-13-17(15-18)31-32-21(25(39)44-5-2)26(40)45-6-3/h7-15,31H,4-6H2,1-3H3,(H2,29,41,42)(H,30,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair