BDBM50044857 CA inhibitor, 4::CHEMBL3311314

SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C

InChI Key: InChIKey=ANVUKJDKJYJFNE-UHFFFAOYSA-N

Data: 2 KI  3 IC50  1 EC50

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 6 hits for monomerid = 50044857   

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))	BDBM50044857 (CA inhibitor, 4 | CHEMBL3311314) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C Show InChI InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	-8.91	n/a	n/a	n/a	n/a	n/a	7.5	25
Ataturk University					Assay Description An applied photophysics stopped flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 294-8 (2013) Article DOI: 10.3109/14756366.2012.658788 BindingDB Entry DOI: 10.7270/Q2TH8KKX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50044857 (CA inhibitor, 4 | CHEMBL3311314) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C Show InChI InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	612	-8.47	n/a	n/a	n/a	n/a	n/a	7.5	25
Ataturk University					Assay Description An applied photophysics stopped flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 294-8 (2013) Article DOI: 10.3109/14756366.2012.658788 BindingDB Entry DOI: 10.7270/Q2TH8KKX
					More data for this Ligand-Target Pair
Free fatty acid receptor 4 (Homo sapiens (Human))	BDBM50044857 (CA inhibitor, 4 | CHEMBL3311314) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C Show InChI InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human FFA4 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR				Bioorg Med Chem Lett 24: 3100-3 (2014) Article DOI: 10.1016/j.bmcl.2014.05.012 BindingDB Entry DOI: 10.7270/Q2CC1292
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50044857 (CA inhibitor, 4 | CHEMBL3311314) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C Show InChI InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	425	n/a	n/a	n/a	n/a	n/a	n/a
Ataturk University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 818-24 (2012) Article DOI: 10.3109/14756366.2011.617745 BindingDB Entry DOI: 10.7270/Q2G73CKP
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50044857 (CA inhibitor, 4 | CHEMBL3311314) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C Show InChI InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ataturk University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 818-24 (2012) Article DOI: 10.3109/14756366.2011.617745 BindingDB Entry DOI: 10.7270/Q2G73CKP
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM50044857 (CA inhibitor, 4 | CHEMBL3311314) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C Show InChI InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ataturk University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 818-24 (2012) Article DOI: 10.3109/14756366.2011.617745 BindingDB Entry DOI: 10.7270/Q2G73CKP
					More data for this Ligand-Target Pair