BDBM50197821 CHEMBL3909323

SMILES: COc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1

InChI Key: InChIKey=NXUMZJYBWMCXAG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50197821   

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))	BDBM50197821 (CHEMBL3909323) Show SMILES COc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C16H16N4O4S/c1-23-14-3-2-4-15(9-14)24-11-12-10-20(19-18-12)13-5-7-16(8-6-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay				J Med Chem 59: 10692-10704 (2016) Article DOI: 10.1021/acs.jmedchem.6b01389 BindingDB Entry DOI: 10.7270/Q2Q81G1H
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50197821 (CHEMBL3909323) Show SMILES COc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C16H16N4O4S/c1-23-14-3-2-4-15(9-14)24-11-12-10-20(19-18-12)13-5-7-16(8-6-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	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 human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay				J Med Chem 59: 10692-10704 (2016) Article DOI: 10.1021/acs.jmedchem.6b01389 BindingDB Entry DOI: 10.7270/Q2Q81G1H
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50197821 (CHEMBL3909323) Show SMILES COc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C16H16N4O4S/c1-23-14-3-2-4-15(9-14)24-11-12-10-20(19-18-12)13-5-7-16(8-6-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	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 human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay				J Med Chem 59: 10692-10704 (2016) Article DOI: 10.1021/acs.jmedchem.6b01389 BindingDB Entry DOI: 10.7270/Q2Q81G1H
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50197821 (CHEMBL3909323) Show SMILES COc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C16H16N4O4S/c1-23-14-3-2-4-15(9-14)24-11-12-10-20(19-18-12)13-5-7-16(8-6-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	351	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 human carbonic anhydrase 1 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay				J Med Chem 59: 10692-10704 (2016) Article DOI: 10.1021/acs.jmedchem.6b01389 BindingDB Entry DOI: 10.7270/Q2Q81G1H
					More data for this Ligand-Target Pair