BDBM50037217 CHEMBL3356276

SMILES: COc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O

InChI Key: InChIKey=YBGCWXAQRGYGHV-AWQFTUOYSA-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 = 50037217   

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 2 (Homo sapiens (Human))	BDBM50037217 (CHEMBL3356276) Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O Show InChI InChI=1S/C18H15N5O4S2/c1-27-13-4-2-11(3-5-13)17-12(9-20-24)10-23(22-17)18-21-15-7-6-14(29(19,25)26)8-16(15)28-18/h2-10,24H,1H3,(H2,19,25,26)/b20-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method				Bioorg Med Chem 22: 6945-52 (2014) Article DOI: 10.1016/j.bmc.2014.10.018 BindingDB Entry DOI: 10.7270/Q20V8FCK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50037217 (CHEMBL3356276) Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O Show InChI InChI=1S/C18H15N5O4S2/c1-27-13-4-2-11(3-5-13)17-12(9-20-24)10-23(22-17)18-21-15-7-6-14(29(19,25)26)8-16(15)28-18/h2-10,24H,1H3,(H2,19,25,26)/b20-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydrase assay method				Bioorg Med Chem 22: 6945-52 (2014) Article DOI: 10.1016/j.bmc.2014.10.018 BindingDB Entry DOI: 10.7270/Q20V8FCK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50037217 (CHEMBL3356276) Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O Show InChI InChI=1S/C18H15N5O4S2/c1-27-13-4-2-11(3-5-13)17-12(9-20-24)10-23(22-17)18-21-15-7-6-14(29(19,25)26)8-16(15)28-18/h2-10,24H,1H3,(H2,19,25,26)/b20-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method				Bioorg Med Chem 22: 6945-52 (2014) Article DOI: 10.1016/j.bmc.2014.10.018 BindingDB Entry DOI: 10.7270/Q20V8FCK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50037217 (CHEMBL3356276) Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O Show InChI InChI=1S/C18H15N5O4S2/c1-27-13-4-2-11(3-5-13)17-12(9-20-24)10-23(22-17)18-21-15-7-6-14(29(19,25)26)8-16(15)28-18/h2-10,24H,1H3,(H2,19,25,26)/b20-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method				Bioorg Med Chem 22: 6945-52 (2014) Article DOI: 10.1016/j.bmc.2014.10.018 BindingDB Entry DOI: 10.7270/Q20V8FCK
					More data for this Ligand-Target Pair