BDBM50242145 CHEMBL4070820

SMILES: CCCCCNS(=O)(=O)c1ccccc1C(O)=O

InChI Key: InChIKey=KBYKJGSIGSUNCK-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 = 50242145   

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 (Homo sapiens (Human))	BDBM50242145 (CHEMBL4070820) Show SMILES CCCCCNS(=O)(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C12H17NO4S/c1-2-3-6-9-13-18(16,17)11-8-5-4-7-10(11)12(14)15/h4-5,7-8,13H,2-3,6,9H2,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-12 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by st...				Bioorg Med Chem 25: 3583-3589 (2017) Article DOI: 10.1016/j.bmc.2017.04.007 BindingDB Entry DOI: 10.7270/Q2G73GWZ
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50242145 (CHEMBL4070820) Show SMILES CCCCCNS(=O)(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C12H17NO4S/c1-2-3-6-9-13-18(16,17)11-8-5-4-7-10(11)12(14)15/h4-5,7-8,13H,2-3,6,9H2,1H3,(H,14,15)	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	392	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by sto...				Bioorg Med Chem 25: 3583-3589 (2017) Article DOI: 10.1016/j.bmc.2017.04.007 BindingDB Entry DOI: 10.7270/Q2G73GWZ
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50242145 (CHEMBL4070820) Show SMILES CCCCCNS(=O)(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C12H17NO4S/c1-2-3-6-9-13-18(16,17)11-8-5-4-7-10(11)12(14)15/h4-5,7-8,13H,2-3,6,9H2,1H3,(H,14,15)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by sto...				Bioorg Med Chem 25: 3583-3589 (2017) Article DOI: 10.1016/j.bmc.2017.04.007 BindingDB Entry DOI: 10.7270/Q2G73GWZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50242145 (CHEMBL4070820) Show SMILES CCCCCNS(=O)(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C12H17NO4S/c1-2-3-6-9-13-18(16,17)11-8-5-4-7-10(11)12(14)15/h4-5,7-8,13H,2-3,6,9H2,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by sto...				Bioorg Med Chem 25: 3583-3589 (2017) Article DOI: 10.1016/j.bmc.2017.04.007 BindingDB Entry DOI: 10.7270/Q2G73GWZ
					More data for this Ligand-Target Pair