BDBM50422123 CHEMBL2303953

SMILES: OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC#N)c2)[C@@H](O)[C@H](O)[C@@H]1O

InChI Key: InChIKey=DPOOHZIGCIUSOW-UEDWAMCQSA-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 = 50422123   

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
Selectin E (Homo sapiens (Human))	BDBM50422123 (CHEMBL2303953) Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC#N)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H21NO6/c21-9-8-12-4-3-5-13(10-12)14-6-1-2-7-15(14)26-20-19(25)18(24)17(23)16(11-22)27-20/h1-7,10,16-20,22-25H,8,11H2/t16-,17-,18-,19+,20+/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	n/a	n/a	7.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Texas Biotechnology Corporation Curated by ChEMBL					Assay Description In vitro inhibition of HL60 (human leukemia) cell binding to human recombinant e-selectin.				J Med Chem 38: 4976-84 (1996) BindingDB Entry DOI: 10.7270/Q2B56KCP
					More data for this Ligand-Target Pair
Leukocyte adhesion molecule-1 (Mus musculus)	BDBM50422123 (CHEMBL2303953) Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC#N)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H21NO6/c21-9-8-12-4-3-5-13(10-12)14-6-1-2-7-15(14)26-20-19(25)18(24)17(23)16(11-22)27-20/h1-7,10,16-20,22-25H,8,11H2/t16-,17-,18-,19+,20+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Texas Biotechnology Corporation Curated by ChEMBL					Assay Description In vitro inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin L				J Med Chem 38: 4976-84 (1996) BindingDB Entry DOI: 10.7270/Q2B56KCP
					More data for this Ligand-Target Pair