BDBM50133401 CHEMBL3632837

SMILES: COC(=O)c1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1

InChI Key: InChIKey=XMVBONCFTOUODA-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50133401   

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 14 (Homo sapiens (Human))	BDBM50133401 (CHEMBL3632837) Show SMILES COC(=O)c1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C21H19NO4S/c1-26-21(23)19-8-4-16(5-9-19)14-15-2-6-17(7-3-15)18-10-12-20(13-11-18)27(22,24)25/h2-13H,14H2,1H3,(H2,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) BindingDB Entry DOI: 10.7270/Q2FF3V5V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50133401 (CHEMBL3632837) Show SMILES COC(=O)c1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C21H19NO4S/c1-26-21(23)19-8-4-16(5-9-19)14-15-2-6-17(7-3-15)18-10-12-20(13-11-18)27(22,24)25/h2-13H,14H2,1H3,(H2,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) BindingDB Entry DOI: 10.7270/Q2FF3V5V
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50133401 (CHEMBL3632837) Show SMILES COC(=O)c1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C21H19NO4S/c1-26-21(23)19-8-4-16(5-9-19)14-15-2-6-17(7-3-15)18-10-12-20(13-11-18)27(22,24)25/h2-13H,14H2,1H3,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) BindingDB Entry DOI: 10.7270/Q2FF3V5V
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50133401 (CHEMBL3632837) Show SMILES COC(=O)c1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C21H19NO4S/c1-26-21(23)19-8-4-16(5-9-19)14-15-2-6-17(7-3-15)18-10-12-20(13-11-18)27(22,24)25/h2-13H,14H2,1H3,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) BindingDB Entry DOI: 10.7270/Q2FF3V5V
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50133401 (CHEMBL3632837) Show SMILES COC(=O)c1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C21H19NO4S/c1-26-21(23)19-8-4-16(5-9-19)14-15-2-6-17(7-3-15)18-10-12-20(13-11-18)27(22,24)25/h2-13H,14H2,1H3,(H2,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	237	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) BindingDB Entry DOI: 10.7270/Q2FF3V5V
					More data for this Ligand-Target Pair