BDBM50259369 4-Benzoyl-1-(3-((2,4-dioxopentan-3-yl)diazenyl)phenyl)-5-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxamide::CHEMBL453931

SMILES: [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](-[#6])=O

InChI Key: InChIKey=PPDUNJMDSIQXOY-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 = 50259369   

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))	BDBM50259369 (4-Benzoyl-1-(3-((2,4-dioxopentan-3-yl)diazenyl)phe...) Show SMILES [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](-[#6])=O Show InChI InChI=1S/C30H24N8O6S2/c1-17(39)24(18(2)40)34-33-21-14-9-15-22(16-21)38-26(19-10-5-3-6-11-19)23(27(41)20-12-7-4-8-13-20)25(37-38)28(42)32-29-35-36-30(45-29)46(31,43)44/h3-16,33H,1-2H3,(H2,31,43,44)(H,32,35,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	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				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50259369 (4-Benzoyl-1-(3-((2,4-dioxopentan-3-yl)diazenyl)phe...) Show SMILES [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](-[#6])=O Show InChI InChI=1S/C30H24N8O6S2/c1-17(39)24(18(2)40)34-33-21-14-9-15-22(16-21)38-26(19-10-5-3-6-11-19)23(27(41)20-12-7-4-8-13-20)25(37-38)28(42)32-29-35-36-30(45-29)46(31,43)44/h3-16,33H,1-2H3,(H2,31,43,44)(H,32,35,42)	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	240	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				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50259369 (4-Benzoyl-1-(3-((2,4-dioxopentan-3-yl)diazenyl)phe...) Show SMILES [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](-[#6])=O Show InChI InChI=1S/C30H24N8O6S2/c1-17(39)24(18(2)40)34-33-21-14-9-15-22(16-21)38-26(19-10-5-3-6-11-19)23(27(41)20-12-7-4-8-13-20)25(37-38)28(42)32-29-35-36-30(45-29)46(31,43)44/h3-16,33H,1-2H3,(H2,31,43,44)(H,32,35,42)	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	85	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of CO2-hydratase activity of human carbonic anhydrase 2 by CO2 hydration method				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50259369 (4-Benzoyl-1-(3-((2,4-dioxopentan-3-yl)diazenyl)phe...) Show SMILES [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](-[#6])=O Show InChI InChI=1S/C30H24N8O6S2/c1-17(39)24(18(2)40)34-33-21-14-9-15-22(16-21)38-26(19-10-5-3-6-11-19)23(27(41)20-12-7-4-8-13-20)25(37-38)28(42)32-29-35-36-30(45-29)46(31,43)44/h3-16,33H,1-2H3,(H2,31,43,44)(H,32,35,42)	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	450	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of esterase activity of human carbonic anhydrase 1 by CO2 hydration method				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50259369 (4-Benzoyl-1-(3-((2,4-dioxopentan-3-yl)diazenyl)phe...) Show SMILES [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](-[#6])=O Show InChI InChI=1S/C30H24N8O6S2/c1-17(39)24(18(2)40)34-33-21-14-9-15-22(16-21)38-26(19-10-5-3-6-11-19)23(27(41)20-12-7-4-8-13-20)25(37-38)28(42)32-29-35-36-30(45-29)46(31,43)44/h3-16,33H,1-2H3,(H2,31,43,44)(H,32,35,42)	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	360	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of CO2-hydratase activity of human carbonic anhydrase 1 by CO2 hydration method				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50259369 (4-Benzoyl-1-(3-((2,4-dioxopentan-3-yl)diazenyl)phe...) Show SMILES [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](-[#6])=O Show InChI InChI=1S/C30H24N8O6S2/c1-17(39)24(18(2)40)34-33-21-14-9-15-22(16-21)38-26(19-10-5-3-6-11-19)23(27(41)20-12-7-4-8-13-20)25(37-38)28(42)32-29-35-36-30(45-29)46(31,43)44/h3-16,33H,1-2H3,(H2,31,43,44)(H,32,35,42)	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	180	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of esterase activity of human carbonic anhydrase 2 by CO2 hydration method				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair