BDBM50051113 CHEMBL3310911

SMILES: CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC

InChI Key: InChIKey=OMFMVJIFYJSQOU-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 = 50051113   

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 9 (Homo sapiens (Human))	BDBM50051113 (CHEMBL3310911) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC Show InChI InChI=1S/C14H22N2O3S/c1-4-10-16(11-5-2)20(18,19)13-8-6-12(7-9-13)14(17)15-3/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 22: 3982-8 (2014) Article DOI: 10.1016/j.bmc.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ST7RHH
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50051113 (CHEMBL3310911) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC Show InChI InChI=1S/C14H22N2O3S/c1-4-10-16(11-5-2)20(18,19)13-8-6-12(7-9-13)14(17)15-3/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 22: 3982-8 (2014) Article DOI: 10.1016/j.bmc.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ST7RHH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50051113 (CHEMBL3310911) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC Show InChI InChI=1S/C14H22N2O3S/c1-4-10-16(11-5-2)20(18,19)13-8-6-12(7-9-13)14(17)15-3/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 22: 3982-8 (2014) Article DOI: 10.1016/j.bmc.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ST7RHH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50051113 (CHEMBL3310911) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC Show InChI InChI=1S/C14H22N2O3S/c1-4-10-16(11-5-2)20(18,19)13-8-6-12(7-9-13)14(17)15-3/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 22: 3982-8 (2014) Article DOI: 10.1016/j.bmc.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ST7RHH
					More data for this Ligand-Target Pair