BDBM50387145 CHEMBL2047825

SMILES: CC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1

InChI Key: InChIKey=NNILPWIOCNHOKU-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50387145   

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))	BDBM50387145 (CHEMBL2047825) Show SMILES CC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 Show InChI InChI=1S/C15H15N3O5S/c1-10(19)11-3-2-4-13(9-11)18-15(20)17-12-5-7-14(8-6-12)23-24(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)	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	1.10	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))	BDBM50387145 (CHEMBL2047825) Show SMILES CC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 Show InChI InChI=1S/C15H15N3O5S/c1-10(19)11-3-2-4-13(9-11)18-15(20)17-12-5-7-14(8-6-12)23-24(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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))	BDBM50387145 (CHEMBL2047825) Show SMILES CC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 Show InChI InChI=1S/C15H15N3O5S/c1-10(19)11-3-2-4-13(9-11)18-15(20)17-12-5-7-14(8-6-12)23-24(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)	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))	BDBM50387145 (CHEMBL2047825) Show SMILES CC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 Show InChI InChI=1S/C15H15N3O5S/c1-10(19)11-3-2-4-13(9-11)18-15(20)17-12-5-7-14(8-6-12)23-24(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	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))	BDBM50387145 (CHEMBL2047825) Show SMILES CC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 Show InChI InChI=1S/C15H15N3O5S/c1-10(19)11-3-2-4-13(9-11)18-15(20)17-12-5-7-14(8-6-12)23-24(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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))	BDBM50387145 (CHEMBL2047825) Show SMILES CC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 Show InChI InChI=1S/C15H15N3O5S/c1-10(19)11-3-2-4-13(9-11)18-15(20)17-12-5-7-14(8-6-12)23-24(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)	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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50387145 (CHEMBL2047825) Show SMILES CC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 Show InChI InChI=1S/C15H15N3O5S/c1-10(19)11-3-2-4-13(9-11)18-15(20)17-12-5-7-14(8-6-12)23-24(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	413	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))	BDBM50387145 (CHEMBL2047825) Show SMILES CC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 Show InChI InChI=1S/C15H15N3O5S/c1-10(19)11-3-2-4-13(9-11)18-15(20)17-12-5-7-14(8-6-12)23-24(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)	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	3.48E+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