BDBM50330336 CHEMBL1276016::Ethyl1-(3-((4-hydroxyphenyl)diazenyl)phenyl)-5-phenyl-3-(5-sulfamoyl-1,3,4-thiadiazol-2-ylcarbamoyl)-1H-pyrazole-4-carboxylate

SMILES: CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O

InChI Key: InChIKey=XQIPHDFBSIMLKC-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 = 50330336   

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))	BDBM50330336 (CHEMBL1276016 | Ethyl1-(3-((4-hydroxyphenyl)diazen...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24| Show InChI InChI=1S/C27H22N8O6S2/c1-2-41-25(38)21-22(24(37)29-26-32-33-27(42-26)43(28,39)40)34-35(23(21)16-7-4-3-5-8-16)19-10-6-9-18(15-19)31-30-17-11-13-20(36)14-12-17/h3-15,36H,2H2,1H3,(H2,28,39,40)(H,29,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	950	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))	BDBM50330336 (CHEMBL1276016 | Ethyl1-(3-((4-hydroxyphenyl)diazen...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24| Show InChI InChI=1S/C27H22N8O6S2/c1-2-41-25(38)21-22(24(37)29-26-32-33-27(42-26)43(28,39)40)34-35(23(21)16-7-4-3-5-8-16)19-10-6-9-18(15-19)31-30-17-11-13-20(36)14-12-17/h3-15,36H,2H2,1H3,(H2,28,39,40)(H,29,32,37)	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	1.63E+3	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 2 (Homo sapiens (Human))	BDBM50330336 (CHEMBL1276016 | Ethyl1-(3-((4-hydroxyphenyl)diazen...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24| Show InChI InChI=1S/C27H22N8O6S2/c1-2-41-25(38)21-22(24(37)29-26-32-33-27(42-26)43(28,39)40)34-35(23(21)16-7-4-3-5-8-16)19-10-6-9-18(15-19)31-30-17-11-13-20(36)14-12-17/h3-15,36H,2H2,1H3,(H2,28,39,40)(H,29,32,37)	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	470	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 1 (Homo sapiens (Human))	BDBM50330336 (CHEMBL1276016 | Ethyl1-(3-((4-hydroxyphenyl)diazen...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24| Show InChI InChI=1S/C27H22N8O6S2/c1-2-41-25(38)21-22(24(37)29-26-32-33-27(42-26)43(28,39)40)34-35(23(21)16-7-4-3-5-8-16)19-10-6-9-18(15-19)31-30-17-11-13-20(36)14-12-17/h3-15,36H,2H2,1H3,(H2,28,39,40)(H,29,32,37)	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	1.25E+3	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 1 (Homo sapiens (Human))	BDBM50330336 (CHEMBL1276016 | Ethyl1-(3-((4-hydroxyphenyl)diazen...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24| Show InChI InChI=1S/C27H22N8O6S2/c1-2-41-25(38)21-22(24(37)29-26-32-33-27(42-26)43(28,39)40)34-35(23(21)16-7-4-3-5-8-16)19-10-6-9-18(15-19)31-30-17-11-13-20(36)14-12-17/h3-15,36H,2H2,1H3,(H2,28,39,40)(H,29,32,37)	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	120	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 2 (Homo sapiens (Human))	BDBM50330336 (CHEMBL1276016 | Ethyl1-(3-((4-hydroxyphenyl)diazen...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24| Show InChI InChI=1S/C27H22N8O6S2/c1-2-41-25(38)21-22(24(37)29-26-32-33-27(42-26)43(28,39)40)34-35(23(21)16-7-4-3-5-8-16)19-10-6-9-18(15-19)31-30-17-11-13-20(36)14-12-17/h3-15,36H,2H2,1H3,(H2,28,39,40)(H,29,32,37)	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	450	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