BDBM50029076 CHEMBL3343270

SMILES: COc1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)c(O)c1

InChI Key: InChIKey=OOTYLDJVEFMLQR-WOJGMQOQSA-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 = 50029076   

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))	BDBM50029076 (CHEMBL3343270) Show SMILES COc1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)c(O)c1 Show InChI InChI=1S/C16H18N2O4S/c1-22-14-5-4-13(16(19)10-14)11-18-9-8-12-2-6-15(7-3-12)23(17,20)21/h2-7,10-11,19H,8-9H2,1H3,(H2,17,20,21)/b18-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	438	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 CA-12 after 15 mins by stopped-flow CO2 hydration method				Bioorg Med Chem 22: 5883-90 (2014) Article DOI: 10.1016/j.bmc.2014.09.021 BindingDB Entry DOI: 10.7270/Q2W097J5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50029076 (CHEMBL3343270) Show SMILES COc1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)c(O)c1 Show InChI InChI=1S/C16H18N2O4S/c1-22-14-5-4-13(16(19)10-14)11-18-9-8-12-2-6-15(7-3-12)23(17,20)21/h2-7,10-11,19H,8-9H2,1H3,(H2,17,20,21)/b18-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	697	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 CA-2 after 15 mins by stopped-flow CO2 hydration method				Bioorg Med Chem 22: 5883-90 (2014) Article DOI: 10.1016/j.bmc.2014.09.021 BindingDB Entry DOI: 10.7270/Q2W097J5
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50029076 (CHEMBL3343270) Show SMILES COc1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)c(O)c1 Show InChI InChI=1S/C16H18N2O4S/c1-22-14-5-4-13(16(19)10-14)11-18-9-8-12-2-6-15(7-3-12)23(17,20)21/h2-7,10-11,19H,8-9H2,1H3,(H2,17,20,21)/b18-11+	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	1.87E+3	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 CA-9 after 15 mins by stopped-flow CO2 hydration method				Bioorg Med Chem 22: 5883-90 (2014) Article DOI: 10.1016/j.bmc.2014.09.021 BindingDB Entry DOI: 10.7270/Q2W097J5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50029076 (CHEMBL3343270) Show SMILES COc1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)c(O)c1 Show InChI InChI=1S/C16H18N2O4S/c1-22-14-5-4-13(16(19)10-14)11-18-9-8-12-2-6-15(7-3-12)23(17,20)21/h2-7,10-11,19H,8-9H2,1H3,(H2,17,20,21)/b18-11+	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	4.40E+3	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 CA-1 after 15 mins by stopped-flow CO2 hydration method				Bioorg Med Chem 22: 5883-90 (2014) Article DOI: 10.1016/j.bmc.2014.09.021 BindingDB Entry DOI: 10.7270/Q2W097J5
					More data for this Ligand-Target Pair