BDBM50248711 CHEMBL4072315

SMILES: CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)\C=C\c1ccc(OC)cc1

InChI Key: InChIKey=VLYKEYYZJKAYOE-MZQSRWGZSA-N

Data: 2 IC50

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 2 hits for monomerid = 50248711   

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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50248711 (CHEMBL4072315) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)\C=C\c1ccc(OC)cc1 |r| Show InChI InChI=1S/C17H23NO7/c1-23-11-6-3-10(4-7-11)5-8-13(20)18-14-16(22)15(21)12(9-19)25-17(14)24-2/h3-8,12,14-17,19,21-22H,9H2,1-2H3,(H,18,20)/b8-5+/t12-,14-,15-,16-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometr...				Eur J Med Chem 132: 1-10 (2017) Article DOI: 10.1016/j.ejmech.2017.03.023 BindingDB Entry DOI: 10.7270/Q2WS8WNX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50248711 (CHEMBL4072315) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)\C=C\c1ccc(OC)cc1 |r| Show InChI InChI=1S/C17H23NO7/c1-23-11-6-3-10(4-7-11)5-8-13(20)18-14-16(22)15(21)12(9-19)25-17(14)24-2/h3-8,12,14-17,19,21-22H,9H2,1-2H3,(H,18,20)/b8-5+/t12-,14-,15-,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity towards HSV-1 thymidine kinase				Eur J Med Chem 132: 1-10 (2017) Article DOI: 10.1016/j.ejmech.2017.03.023 BindingDB Entry DOI: 10.7270/Q2WS8WNX
					More data for this Ligand-Target Pair