BDBM50387158 CHEMBL2047839

SMILES: NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2C#N)cc1

InChI Key: InChIKey=HDMSKTALDJMCHU-UHFFFAOYSA-N

Data: 9 KI

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 9 hits for monomerid = 50387158   

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 1 (Homo sapiens (Human))	BDBM50387158 (CHEMBL2047839) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2C#N)cc1 Show InChI InChI=1S/C14H12N4O4S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22-23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Romanian Academy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1				Bioorg Med Chem 21: 1404-9 (2013) Article DOI: 10.1016/j.bmc.2012.11.004 BindingDB Entry DOI: 10.7270/Q2XW4M4Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50387158 (CHEMBL2047839) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2C#N)cc1 Show InChI InChI=1S/C14H12N4O4S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22-23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Romanian Academy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2				Bioorg Med Chem 21: 1404-9 (2013) Article DOI: 10.1016/j.bmc.2012.11.004 BindingDB Entry DOI: 10.7270/Q2XW4M4Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50387158 (CHEMBL2047839) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2C#N)cc1 Show InChI InChI=1S/C14H12N4O4S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22-23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)	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	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Romanian Academy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9				Bioorg Med Chem 21: 1404-9 (2013) Article DOI: 10.1016/j.bmc.2012.11.004 BindingDB Entry DOI: 10.7270/Q2XW4M4Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50387158 (CHEMBL2047839) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2C#N)cc1 Show InChI InChI=1S/C14H12N4O4S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22-23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Romanian Academy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12				Bioorg Med Chem 21: 1404-9 (2013) Article DOI: 10.1016/j.bmc.2012.11.004 BindingDB Entry DOI: 10.7270/Q2XW4M4Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50387158 (CHEMBL2047839) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2C#N)cc1 Show InChI InChI=1S/C14H12N4O4S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22-23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay				Bioorg Med Chem Lett 22: 4681-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.083 BindingDB Entry DOI: 10.7270/Q20866C2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50387158 (CHEMBL2047839) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2C#N)cc1 Show InChI InChI=1S/C14H12N4O4S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22-23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)	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	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay				Bioorg Med Chem Lett 22: 4681-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.083 BindingDB Entry DOI: 10.7270/Q20866C2
					More data for this Ligand-Target Pair
beta-Carbonic Anhydrase (Candida albicans (Yeast))	BDBM50387158 (CHEMBL2047839) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2C#N)cc1 Show InChI InChI=1S/C14H12N4O4S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22-23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50387158 (CHEMBL2047839) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2C#N)cc1 Show InChI InChI=1S/C14H12N4O4S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22-23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	541	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay				Bioorg Med Chem Lett 22: 4681-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.083 BindingDB Entry DOI: 10.7270/Q20866C2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50387158 (CHEMBL2047839) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2C#N)cc1 Show InChI InChI=1S/C14H12N4O4S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22-23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)	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	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay				Bioorg Med Chem Lett 22: 4681-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.083 BindingDB Entry DOI: 10.7270/Q20866C2
					More data for this Ligand-Target Pair