BDBM50435885 CHEMBL2391085

SMILES: Oc1ccc(CC[C@H]2C[C@H]3C[C@H](CC(=O)O3)O2)c(O)c1

InChI Key: InChIKey=COTJJLDDXIOUDJ-RWMBFGLXSA-N

Data: 1 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 1 hit for monomerid = 50435885   

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 XIII (Mus musculus (mouse))	BDBM50435885 (CHEMBL2391085) Show SMILES Oc1ccc(CC[C@H]2C[C@H]3C[C@H](CC(=O)O3)O2)c(O)c1 |r| Show InChI InChI=1S/C15H18O5/c16-10-3-1-9(14(17)5-10)2-4-11-6-12-7-13(19-11)8-15(18)20-12/h1,3,5,11-13,16-17H,2,4,6-8H2/t11-,12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacid Group in Organic Synthesis Team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped flow CO2 hydrase assay				Bioorg Med Chem 21: 3790-4 (2013) Article DOI: 10.1016/j.bmc.2013.04.041 BindingDB Entry DOI: 10.7270/Q2RV0Q33
					More data for this Ligand-Target Pair