BDBM50035697 CHEMBL2377778

SMILES: NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1

InChI Key: InChIKey=CNFAHVNPEUHGNP-UHFFFAOYSA-N

Data: 8 KI  2 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 10 hits for monomerid = 50035697   

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 12 (Homo sapiens (Human))	BDBM50035697 (CHEMBL2377778) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1 Show InChI InChI=1S/C19H14N2O4S/c20-26(24,25)14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 5185-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.076 BindingDB Entry DOI: 10.7270/Q25Q4XP2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50035697 (CHEMBL2377778) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1 Show InChI InChI=1S/C19H14N2O4S/c20-26(24,25)14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2,(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 5185-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.076 BindingDB Entry DOI: 10.7270/Q25Q4XP2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50035697 (CHEMBL2377778) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1 Show InChI InChI=1S/C19H14N2O4S/c20-26(24,25)14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 5185-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.076 BindingDB Entry DOI: 10.7270/Q25Q4XP2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50035697 (CHEMBL2377778) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1 Show InChI InChI=1S/C19H14N2O4S/c20-26(24,25)14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of human CA2 pre-incubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 5373-5379 (2017) Article DOI: 10.1016/j.bmc.2017.07.056 BindingDB Entry DOI: 10.7270/Q2F47RMV
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50035697 (CHEMBL2377778) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1 Show InChI InChI=1S/C19H14N2O4S/c20-26(24,25)14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of human CA12 pre-incubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 5373-5379 (2017) Article DOI: 10.1016/j.bmc.2017.07.056 BindingDB Entry DOI: 10.7270/Q2F47RMV
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50035697 (CHEMBL2377778) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1 Show InChI InChI=1S/C19H14N2O4S/c20-26(24,25)14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2,(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of human CA9 pre-incubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 5373-5379 (2017) Article DOI: 10.1016/j.bmc.2017.07.056 BindingDB Entry DOI: 10.7270/Q2F47RMV
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50035697 (CHEMBL2377778) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1 Show InChI InChI=1S/C19H14N2O4S/c20-26(24,25)14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2,(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of human CA1 pre-incubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 5373-5379 (2017) Article DOI: 10.1016/j.bmc.2017.07.056 BindingDB Entry DOI: 10.7270/Q2F47RMV
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50035697 (CHEMBL2377778) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1 Show InChI InChI=1S/C19H14N2O4S/c20-26(24,25)14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2,(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	404	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 5185-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.076 BindingDB Entry DOI: 10.7270/Q25Q4XP2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50035697 (CHEMBL2377778) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1 Show InChI InChI=1S/C19H14N2O4S/c20-26(24,25)14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2,(H2,20,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of ovine COX1-mediated prostaglandin alpha production by enzyme immuno assay				Bioorg Med Chem Lett 23: 2601-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.107 BindingDB Entry DOI: 10.7270/Q2SJ1PHN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50035697 (CHEMBL2377778) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1 Show InChI InChI=1S/C19H14N2O4S/c20-26(24,25)14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2,(H2,20,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay				Bioorg Med Chem Lett 23: 2601-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.107 BindingDB Entry DOI: 10.7270/Q2SJ1PHN
					More data for this Ligand-Target Pair