BDBM50242153 CHEMBL421511

SMILES: CCCCCN1C(=O)c2ccccc2S1(=O)=O

InChI Key: InChIKey=NBFHISOWVILQNO-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 = 50242153   

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))	BDBM50242153 (CHEMBL421511) Show SMILES CCCCCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C12H15NO3S/c1-2-3-6-9-13-12(14)10-7-4-5-8-11(10)17(13,15)16/h4-5,7-8H,2-3,6,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	34	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))	BDBM50242153 (CHEMBL421511) Show SMILES CCCCCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C12H15NO3S/c1-2-3-6-9-13-12(14)10-7-4-5-8-11(10)17(13,15)16/h4-5,7-8H,2-3,6,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	102	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 2 (Homo sapiens (Human))	BDBM50242153 (CHEMBL421511) Show SMILES CCCCCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C12H15NO3S/c1-2-3-6-9-13-12(14)10-7-4-5-8-11(10)17(13,15)16/h4-5,7-8H,2-3,6,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	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
Carbonic anhydrase (Homo sapiens (Human))	BDBM50242153 (CHEMBL421511) Show SMILES CCCCCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C12H15NO3S/c1-2-3-6-9-13-12(14)10-7-4-5-8-11(10)17(13,15)16/h4-5,7-8H,2-3,6,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	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