BDBM50422122 CHEMBL2303951

SMILES: OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(cc2)C(=O)NC(CC(O)=O)C(O)=O)[C@@H](O)[C@H](O)[C@@H]1O

InChI Key: InChIKey=RDZRTAZVHVYAPE-ABWFLSPOSA-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 = 50422122   

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
P-selectin/P-selectin glycoprotein ligand 1 (Homo sapiens (Human))	BDBM50422122 (CHEMBL2303951) Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(cc2)C(=O)NC(CC(O)=O)C(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C23H25NO11/c25-10-16-18(28)19(29)20(30)23(35-16)34-15-4-2-1-3-13(15)11-5-7-12(8-6-11)21(31)24-14(22(32)33)9-17(26)27/h1-8,14,16,18-20,23,25,28-30H,9-10H2,(H,24,31)(H,26,27)(H,32,33)/t14?,16-,18-,19-,20+,23+/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	2.00E+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 P				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)	BDBM50422122 (CHEMBL2303951) Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(cc2)C(=O)NC(CC(O)=O)C(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C23H25NO11/c25-10-16-18(28)19(29)20(30)23(35-16)34-15-4-2-1-3-13(15)11-5-7-12(8-6-11)21(31)24-14(22(32)33)9-17(26)27/h1-8,14,16,18-20,23,25,28-30H,9-10H2,(H,24,31)(H,26,27)(H,32,33)/t14?,16-,18-,19-,20+,23+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+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