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SMILES: COc1cc(C[C@@H]2C[C@H]2C(O)=O)c(Br)c(Br)c1OC

InChI Key: InChIKey=YKKJXISLEKOFOH-HTRCEHHLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50233595   

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))	BDBM50233595 (CHEMBL4082617) Show SMILES COc1cc(C[C@@H]2C[C@H]2C(O)=O)c(Br)c(Br)c1OC |r| Show InChI InChI=1S/C13H14Br2O4/c1-18-9-5-7(3-6-4-8(6)13(16)17)10(14)11(15)12(9)19-2/h5-6,8H,3-4H2,1-2H3,(H,16,17)/t6-,8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40	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))	BDBM50233595 (CHEMBL4082617) Show SMILES COc1cc(C[C@@H]2C[C@H]2C(O)=O)c(Br)c(Br)c1OC |r| Show InChI InChI=1S/C13H14Br2O4/c1-18-9-5-7(3-6-4-8(6)13(16)17)10(14)11(15)12(9)19-2/h5-6,8H,3-4H2,1-2H3,(H,16,17)/t6-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30	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))	BDBM50233595 (CHEMBL4082617) Show SMILES COc1cc(C[C@@H]2C[C@H]2C(O)=O)c(Br)c(Br)c1OC |r| Show InChI InChI=1S/C13H14Br2O4/c1-18-9-5-7(3-6-4-8(6)13(16)17)10(14)11(15)12(9)19-2/h5-6,8H,3-4H2,1-2H3,(H,16,17)/t6-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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))	BDBM50233595 (CHEMBL4082617) Show SMILES COc1cc(C[C@@H]2C[C@H]2C(O)=O)c(Br)c(Br)c1OC |r| Show InChI InChI=1S/C13H14Br2O4/c1-18-9-5-7(3-6-4-8(6)13(16)17)10(14)11(15)12(9)19-2/h5-6,8H,3-4H2,1-2H3,(H,16,17)/t6-,8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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