BDBM50233598 CHEMBL4072131

SMILES: COc1cc(Br)c(C[C@@H]2C[C@H]2C(O)=O)cc1OC

InChI Key: InChIKey=INVIZPYOHVPWLS-VXNVDRBHSA-N

Data: 4 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 4 hits for monomerid = 50233598   

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 (Homo sapiens (Human))	BDBM50233598 (CHEMBL4072131) Show SMILES COc1cc(Br)c(C[C@@H]2C[C@H]2C(O)=O)cc1OC |r| Show InChI InChI=1S/C13H15BrO4/c1-17-11-5-8(10(14)6-12(11)18-2)3-7-4-9(7)13(15)16/h5-7,9H,3-4H2,1-2H3,(H,15,16)/t7-,9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	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))	BDBM50233598 (CHEMBL4072131) Show SMILES COc1cc(Br)c(C[C@@H]2C[C@H]2C(O)=O)cc1OC |r| Show InChI InChI=1S/C13H15BrO4/c1-17-11-5-8(10(14)6-12(11)18-2)3-7-4-9(7)13(15)16/h5-7,9H,3-4H2,1-2H3,(H,15,16)/t7-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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 (Homo sapiens (Human))	BDBM50233598 (CHEMBL4072131) Show SMILES COc1cc(Br)c(C[C@@H]2C[C@H]2C(O)=O)cc1OC |r| Show InChI InChI=1S/C13H15BrO4/c1-17-11-5-8(10(14)6-12(11)18-2)3-7-4-9(7)13(15)16/h5-7,9H,3-4H2,1-2H3,(H,15,16)/t7-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30E+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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50233598 (CHEMBL4072131) Show SMILES COc1cc(Br)c(C[C@@H]2C[C@H]2C(O)=O)cc1OC |r| Show InChI InChI=1S/C13H15BrO4/c1-17-11-5-8(10(14)6-12(11)18-2)3-7-4-9(7)13(15)16/h5-7,9H,3-4H2,1-2H3,(H,15,16)/t7-,9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.80E+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 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