BDBM50143771 CHEMBL3758537

SMILES: Cc1cccc(CNc2ccc(cc2)S(N)(=O)=O)c1O

InChI Key: InChIKey=DJMASVGBPFTKRS-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 = 50143771   

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))	BDBM50143771 (CHEMBL3758537) Show SMILES Cc1cccc(CNc2ccc(cc2)S(N)(=O)=O)c1O Show InChI InChI=1S/C14H16N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 982-8 (2016) BindingDB Entry DOI: 10.7270/Q2KK9DNN
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50143771 (CHEMBL3758537) Show SMILES Cc1cccc(CNc2ccc(cc2)S(N)(=O)=O)c1O Show InChI InChI=1S/C14H16N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)	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	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 982-8 (2016) BindingDB Entry DOI: 10.7270/Q2KK9DNN
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143771 (CHEMBL3758537) Show SMILES Cc1cccc(CNc2ccc(cc2)S(N)(=O)=O)c1O Show InChI InChI=1S/C14H16N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)	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	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 982-8 (2016) BindingDB Entry DOI: 10.7270/Q2KK9DNN
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143771 (CHEMBL3758537) Show SMILES Cc1cccc(CNc2ccc(cc2)S(N)(=O)=O)c1O Show InChI InChI=1S/C14H16N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 982-8 (2016) BindingDB Entry DOI: 10.7270/Q2KK9DNN
					More data for this Ligand-Target Pair