BDBM50113557 (S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(S)-2-(2-hydroxy-ethyl)-tetrahydro-furan-2-carbonyl]-amino}-propionic acid::CHEMBL36938

SMILES: COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(CCO)CCCO2)C(O)=O)cc1

InChI Key: InChIKey=YOCCTHZQHRBDCH-UUOWRZLLSA-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 = 50113557   

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
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50113557 ((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(S)-2-(2...) Show SMILES COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(CCO)CCCO2)C(O)=O)cc1 Show InChI InChI=1S/C24H29NO7/c1-30-19-5-3-6-20(31-2)21(19)17-9-7-16(8-10-17)15-18(22(27)28)25-23(29)24(12-13-26)11-4-14-32-24/h3,5-10,18,26H,4,11-15H2,1-2H3,(H,25,29)(H,27,28)/t18-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alpha4-beta1 (very late) antigen binding with VCAM-1 immunoglobulin plus 5% human plasma				Bioorg Med Chem Lett 12: 1501-5 (2002) BindingDB Entry DOI: 10.7270/Q2T152X7
					More data for this Ligand-Target Pair
Integrin α4β7 (Homo sapiens (Human))	BDBM50113557 ((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(S)-2-(2...) Show SMILES COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(CCO)CCCO2)C(O)=O)cc1 Show InChI InChI=1S/C24H29NO7/c1-30-19-5-3-6-20(31-2)21(19)17-9-7-16(8-10-17)15-18(22(27)28)25-23(29)24(12-13-26)11-4-14-32-24/h3,5-10,18,26H,4,11-15H2,1-2H3,(H,25,29)(H,27,28)/t18-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alpha4-beta7 antigen with MAdCAM immunoglobulin				Bioorg Med Chem Lett 12: 1501-5 (2002) BindingDB Entry DOI: 10.7270/Q2T152X7
					More data for this Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50113557 ((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(S)-2-(2...) Show SMILES COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(CCO)CCCO2)C(O)=O)cc1 Show InChI InChI=1S/C24H29NO7/c1-30-19-5-3-6-20(31-2)21(19)17-9-7-16(8-10-17)15-18(22(27)28)25-23(29)24(12-13-26)11-4-14-32-24/h3,5-10,18,26H,4,11-15H2,1-2H3,(H,25,29)(H,27,28)/t18-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alpha4-beta7 antigen with MAdCAM immunoglobulin				Bioorg Med Chem Lett 12: 1501-5 (2002) BindingDB Entry DOI: 10.7270/Q2T152X7
					More data for this Ligand-Target Pair