BDBM50259472 4-Benzoyl-1-(3-((2-hydroxynaphthalen-1-yl)diazenyl)phenyl)-5-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1Hpyrazole-3-carboxamide::CHEMBL508578

SMILES: NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)N=Nc2c(O)ccc3ccccc23)s1

InChI Key: InChIKey=CTYQPJBQJGGPJM-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 = 50259472   

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))	BDBM50259472 (4-Benzoyl-1-(3-((2-hydroxynaphthalen-1-yl)diazenyl...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)N=Nc2c(O)ccc3ccccc23)s1 |w:36.39| Show InChI InChI=1S/C35H24N8O5S2/c36-50(47,48)35-41-40-34(49-35)37-33(46)30-28(32(45)23-13-5-2-6-14-23)31(22-11-3-1-4-12-22)43(42-30)25-16-9-15-24(20-25)38-39-29-26-17-8-7-10-21(26)18-19-27(29)44/h1-20,44H,(H2,36,47,48)(H,37,40,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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))	BDBM50259472 (4-Benzoyl-1-(3-((2-hydroxynaphthalen-1-yl)diazenyl...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)N=Nc2c(O)ccc3ccccc23)s1 |w:36.39| Show InChI InChI=1S/C35H24N8O5S2/c36-50(47,48)35-41-40-34(49-35)37-33(46)30-28(32(45)23-13-5-2-6-14-23)31(22-11-3-1-4-12-22)43(42-30)25-16-9-15-24(20-25)38-39-29-26-17-8-7-10-21(26)18-19-27(29)44/h1-20,44H,(H2,36,47,48)(H,37,40,46)	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	120	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))	BDBM50259472 (4-Benzoyl-1-(3-((2-hydroxynaphthalen-1-yl)diazenyl...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)N=Nc2c(O)ccc3ccccc23)s1 |w:36.39| Show InChI InChI=1S/C35H24N8O5S2/c36-50(47,48)35-41-40-34(49-35)37-33(46)30-28(32(45)23-13-5-2-6-14-23)31(22-11-3-1-4-12-22)43(42-30)25-16-9-15-24(20-25)38-39-29-26-17-8-7-10-21(26)18-19-27(29)44/h1-20,44H,(H2,36,47,48)(H,37,40,46)	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	10	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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50259472 (4-Benzoyl-1-(3-((2-hydroxynaphthalen-1-yl)diazenyl...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)N=Nc2c(O)ccc3ccccc23)s1 |w:36.39| Show InChI InChI=1S/C35H24N8O5S2/c36-50(47,48)35-41-40-34(49-35)37-33(46)30-28(32(45)23-13-5-2-6-14-23)31(22-11-3-1-4-12-22)43(42-30)25-16-9-15-24(20-25)38-39-29-26-17-8-7-10-21(26)18-19-27(29)44/h1-20,44H,(H2,36,47,48)(H,37,40,46)	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	20	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))	BDBM50259472 (4-Benzoyl-1-(3-((2-hydroxynaphthalen-1-yl)diazenyl...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)N=Nc2c(O)ccc3ccccc23)s1 |w:36.39| Show InChI InChI=1S/C35H24N8O5S2/c36-50(47,48)35-41-40-34(49-35)37-33(46)30-28(32(45)23-13-5-2-6-14-23)31(22-11-3-1-4-12-22)43(42-30)25-16-9-15-24(20-25)38-39-29-26-17-8-7-10-21(26)18-19-27(29)44/h1-20,44H,(H2,36,47,48)(H,37,40,46)	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	80	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 1 (Homo sapiens (Human))	BDBM50259472 (4-Benzoyl-1-(3-((2-hydroxynaphthalen-1-yl)diazenyl...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)N=Nc2c(O)ccc3ccccc23)s1 |w:36.39| Show InChI InChI=1S/C35H24N8O5S2/c36-50(47,48)35-41-40-34(49-35)37-33(46)30-28(32(45)23-13-5-2-6-14-23)31(22-11-3-1-4-12-22)43(42-30)25-16-9-15-24(20-25)38-39-29-26-17-8-7-10-21(26)18-19-27(29)44/h1-20,44H,(H2,36,47,48)(H,37,40,46)	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	210	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