null

SMILES: CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(cc1F)S(N)(=O)=O

InChI Key: InChIKey=IOLGNTHYQLSUFG-AWEZNQCLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50346724   

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 12 (Homo sapiens (Human))	BDBM50346724 (CHEMBL1797788) Show SMILES CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(cc1F)S(N)(=O)=O |r| Show InChI InChI=1S/C17H28BFN4O4S2/c1-3-18(4-2)27-16(24)14(20)7-5-6-10-22-17(28)23-15-9-8-12(11-13(15)19)29(21,25)26/h8-9,11,14H,3-7,10,20H2,1-2H3,(H2,21,25,26)(H2,22,23,28)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 21: 2975-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.055 BindingDB Entry DOI: 10.7270/Q24X585M
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50346724 (CHEMBL1797788) Show SMILES CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(cc1F)S(N)(=O)=O |r| Show InChI InChI=1S/C17H28BFN4O4S2/c1-3-18(4-2)27-16(24)14(20)7-5-6-10-22-17(28)23-15-9-8-12(11-13(15)19)29(21,25)26/h8-9,11,14H,3-7,10,20H2,1-2H3,(H2,21,25,26)(H2,22,23,28)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 21: 2975-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.055 BindingDB Entry DOI: 10.7270/Q24X585M
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50346724 (CHEMBL1797788) Show SMILES CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(cc1F)S(N)(=O)=O |r| Show InChI InChI=1S/C17H28BFN4O4S2/c1-3-18(4-2)27-16(24)14(20)7-5-6-10-22-17(28)23-15-9-8-12(11-13(15)19)29(21,25)26/h8-9,11,14H,3-7,10,20H2,1-2H3,(H2,21,25,26)(H2,22,23,28)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human full length cytosolic isoform of carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 21: 2975-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.055 BindingDB Entry DOI: 10.7270/Q24X585M
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50346724 (CHEMBL1797788) Show SMILES CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(cc1F)S(N)(=O)=O |r| Show InChI InChI=1S/C17H28BFN4O4S2/c1-3-18(4-2)27-16(24)14(20)7-5-6-10-22-17(28)23-15-9-8-12(11-13(15)19)29(21,25)26/h8-9,11,14H,3-7,10,20H2,1-2H3,(H2,21,25,26)(H2,22,23,28)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human full length cytosolic isoform of carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 21: 2975-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.055 BindingDB Entry DOI: 10.7270/Q24X585M
					More data for this Ligand-Target Pair