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SMILES: CCOC(=O)[C@@H]1C[C@@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br

InChI Key: InChIKey=HBSUSNOAQHGZPQ-HTQZYQBOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50233545   

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 1 (Homo sapiens (Human))	BDBM50233545 (CHEMBL4105642) Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br |r| Show InChI InChI=1S/C15H17Br3O4/c1-4-22-15(19)8-5-7(8)6-9-10(16)12(18)14(21-3)13(20-2)11(9)17/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA1 using para-nitrophenylacetate as substrate measured over 3 mins by UV-vis spectrophotometric method				J Med Chem 58: 640-50 (2015) BindingDB Entry DOI: 10.7270/Q2PR7Z6B
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50233545 (CHEMBL4105642) Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br |r| Show InChI InChI=1S/C15H17Br3O4/c1-4-22-15(19)8-5-7(8)6-9-10(16)12(18)14(21-3)13(20-2)11(9)17/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA2 using para-nitrophenylacetate as substrate measured over 3 mins by UV-vis spectrophotometric method				J Med Chem 58: 640-50 (2015) BindingDB Entry DOI: 10.7270/Q2PR7Z6B
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50233545 (CHEMBL4105642) Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br |r| Show InChI InChI=1S/C15H17Br3O4/c1-4-22-15(19)8-5-7(8)6-9-10(16)12(18)14(21-3)13(20-2)11(9)17/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA12 by stopped-flow CO2 hydration method				J Med Chem 58: 640-50 (2015) BindingDB Entry DOI: 10.7270/Q2PR7Z6B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50233545 (CHEMBL4105642) Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br |r| Show InChI InChI=1S/C15H17Br3O4/c1-4-22-15(19)8-5-7(8)6-9-10(16)12(18)14(21-3)13(20-2)11(9)17/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA9 by stopped-flow CO2 hydration method				J Med Chem 58: 640-50 (2015) BindingDB Entry DOI: 10.7270/Q2PR7Z6B
					More data for this Ligand-Target Pair