BDBM50205394 (5-{2-[(2',3',4'-trihydroxy-biphenyl-4-carbonyl)-amino]-phenyl}-thiophen-2-yl)-acetic acid::CHEMBL223010

SMILES: OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1ccc(cc1)-c1ccc(O)c(O)c1O

InChI Key: InChIKey=UAVDYRZYPVHLQZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50205394   

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 (Homo sapiens (Human))	BDBM50205394 ((5-{2-[(2',3',4'-trihydroxy-biphenyl-4-carbonyl)-a...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1ccc(cc1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C25H19NO6S/c27-20-11-10-17(23(30)24(20)31)14-5-7-15(8-6-14)25(32)26-19-4-2-1-3-18(19)21-12-9-16(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50205394 ((5-{2-[(2',3',4'-trihydroxy-biphenyl-4-carbonyl)-a...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1ccc(cc1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C25H19NO6S/c27-20-11-10-17(23(30)24(20)31)14-5-7-15(8-6-14)25(32)26-19-4-2-1-3-18(19)21-12-9-16(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human E-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
L-selectin (Homo sapiens (Human))	BDBM50205394 ((5-{2-[(2',3',4'-trihydroxy-biphenyl-4-carbonyl)-a...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1ccc(cc1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C25H19NO6S/c27-20-11-10-17(23(30)24(20)31)14-5-7-15(8-6-14)25(32)26-19-4-2-1-3-18(19)21-12-9-16(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair