BDBM50363489 CHEMBL1946179::hCA inhibitor, 9

SMILES: COc1c(Br)cc(Br)c(Br)c1OC

InChI Key: InChIKey=RLQZRYRMTTWFCU-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50363489   

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 4 (Homo sapiens (Human))	BDBM50363489 (CHEMBL1946179 | hCA inhibitor, 9) Show SMILES COc1c(Br)cc(Br)c(Br)c1OC Show InChI InChI=1S/C8H7Br3O2/c1-12-7-5(10)3-4(9)6(11)8(7)13-2/h3H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.87E+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 CA4 using 4NPA as substrate for 3 mins by Lineweaver burk plot analysis				Eur J Med Chem 54: 423-8 (2012) Article DOI: 10.1016/j.ejmech.2012.05.025 BindingDB Entry DOI: 10.7270/Q2WS8V91
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50363489 (CHEMBL1946179 | hCA inhibitor, 9) Show SMILES COc1c(Br)cc(Br)c(Br)c1OC Show InChI InChI=1S/C8H7Br3O2/c1-12-7-5(10)3-4(9)6(11)8(7)13-2/h3H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.91E+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 CA2 using 4NPA as substrate for 3 mins by Lineweaver burk plot analysis				Eur J Med Chem 54: 423-8 (2012) Article DOI: 10.1016/j.ejmech.2012.05.025 BindingDB Entry DOI: 10.7270/Q2WS8V91
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50363489 (CHEMBL1946179 | hCA inhibitor, 9) Show SMILES COc1c(Br)cc(Br)c(Br)c1OC Show InChI InChI=1S/C8H7Br3O2/c1-12-7-5(10)3-4(9)6(11)8(7)13-2/h3H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.04E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Artvin£oruh University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate				Bioorg Med Chem Lett 22: 1352-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.069 BindingDB Entry DOI: 10.7270/Q2WH2QF4
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50363489 (CHEMBL1946179 | hCA inhibitor, 9) Show SMILES COc1c(Br)cc(Br)c(Br)c1OC Show InChI InChI=1S/C8H7Br3O2/c1-12-7-5(10)3-4(9)6(11)8(7)13-2/h3H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.63E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Artvin£oruh University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate				Bioorg Med Chem Lett 22: 1352-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.069 BindingDB Entry DOI: 10.7270/Q2WH2QF4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50363489 (CHEMBL1946179 | hCA inhibitor, 9) Show SMILES COc1c(Br)cc(Br)c(Br)c1OC Show InChI InChI=1S/C8H7Br3O2/c1-12-7-5(10)3-4(9)6(11)8(7)13-2/h3H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.92E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Artvin£oruh University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate				Bioorg Med Chem Lett 22: 1352-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.069 BindingDB Entry DOI: 10.7270/Q2WH2QF4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50363489 (CHEMBL1946179 | hCA inhibitor, 9) Show SMILES COc1c(Br)cc(Br)c(Br)c1OC Show InChI InChI=1S/C8H7Br3O2/c1-12-7-5(10)3-4(9)6(11)8(7)13-2/h3H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.92E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Artvin Coruh University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...				J Enzyme Inhib Med Chem 27: 467-75 (2012) Article DOI: 10.3109/14756366.2011.596836 BindingDB Entry DOI: 10.7270/Q2CN72TT
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50363489 (CHEMBL1946179 | hCA inhibitor, 9) Show SMILES COc1c(Br)cc(Br)c(Br)c1OC Show InChI InChI=1S/C8H7Br3O2/c1-12-7-5(10)3-4(9)6(11)8(7)13-2/h3H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.19E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Artvin Coruh University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...				J Enzyme Inhib Med Chem 27: 467-75 (2012) Article DOI: 10.3109/14756366.2011.596836 BindingDB Entry DOI: 10.7270/Q2CN72TT
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50363489 (CHEMBL1946179 | hCA inhibitor, 9) Show SMILES COc1c(Br)cc(Br)c(Br)c1OC Show InChI InChI=1S/C8H7Br3O2/c1-12-7-5(10)3-4(9)6(11)8(7)13-2/h3H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.19E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Artvin£oruh University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate				Bioorg Med Chem Lett 22: 1352-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.069 BindingDB Entry DOI: 10.7270/Q2WH2QF4
					More data for this Ligand-Target Pair