BDBM50428816 2-Propylpentyl Sulfamate::CHEMBL2335233

SMILES: CCCC(CCC)COS(N)(=O)=O

InChI Key: InChIKey=FPKSHVRFEGQGCR-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50428816   

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 14 (Homo sapiens (Human))	BDBM50428816 (2-Propylpentyl Sulfamate | CHEMBL2335233) Show SMILES CCCC(CCC)COS(N)(=O)=O Show InChI InChI=1S/C8H19NO3S/c1-3-5-8(6-4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1410-8 (2013) Article DOI: 10.1016/j.bmc.2012.10.048 BindingDB Entry DOI: 10.7270/Q2CV4K23
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428816 (2-Propylpentyl Sulfamate | CHEMBL2335233) Show SMILES CCCC(CCC)COS(N)(=O)=O Show InChI InChI=1S/C8H19NO3S/c1-3-5-8(6-4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1410-8 (2013) Article DOI: 10.1016/j.bmc.2012.10.048 BindingDB Entry DOI: 10.7270/Q2CV4K23
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428816 (2-Propylpentyl Sulfamate | CHEMBL2335233) Show SMILES CCCC(CCC)COS(N)(=O)=O Show InChI InChI=1S/C8H19NO3S/c1-3-5-8(6-4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1410-8 (2013) Article DOI: 10.1016/j.bmc.2012.10.048 BindingDB Entry DOI: 10.7270/Q2CV4K23
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50428816 (2-Propylpentyl Sulfamate | CHEMBL2335233) Show SMILES CCCC(CCC)COS(N)(=O)=O Show InChI InChI=1S/C8H19NO3S/c1-3-5-8(6-4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)	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	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1410-8 (2013) Article DOI: 10.1016/j.bmc.2012.10.048 BindingDB Entry DOI: 10.7270/Q2CV4K23
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50428816 (2-Propylpentyl Sulfamate | CHEMBL2335233) Show SMILES CCCC(CCC)COS(N)(=O)=O Show InChI InChI=1S/C8H19NO3S/c1-3-5-8(6-4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1410-8 (2013) Article DOI: 10.1016/j.bmc.2012.10.048 BindingDB Entry DOI: 10.7270/Q2CV4K23
					More data for this Ligand-Target Pair