BDBM50116293 (S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(S)-1-(3-methoxy-phenyl)-pyrrolidine-2-carbonyl]-amino}-propionic acid::CHEMBL308458

SMILES: COc1cccc(c1)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1c(OC)cccc1OC)C(O)=O

InChI Key: InChIKey=GMXTVNCMABOSEI-ZEQRLZLVSA-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 = 50116293   

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
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50116293 ((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(S)-1-(3...) Show SMILES COc1cccc(c1)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1c(OC)cccc1OC)C(O)=O Show InChI InChI=1S/C29H32N2O6/c1-35-22-8-4-7-21(18-22)31-16-6-9-24(31)28(32)30-23(29(33)34)17-19-12-14-20(15-13-19)27-25(36-2)10-5-11-26(27)37-3/h4-5,7-8,10-15,18,23-24H,6,9,16-17H2,1-3H3,(H,30,32)(H,33,34)/t23-,24-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]MAdCAM-Ig binding to human integrin alpha4-beta7 of RPMI-8866 cells				Bioorg Med Chem Lett 12: 2205-8 (2002) BindingDB Entry DOI: 10.7270/Q2N29W8Z
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50116293 ((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(S)-1-(3...) Show SMILES COc1cccc(c1)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1c(OC)cccc1OC)C(O)=O Show InChI InChI=1S/C29H32N2O6/c1-35-22-8-4-7-21(18-22)31-16-6-9-24(31)28(32)30-23(29(33)34)17-19-12-14-20(15-13-19)27-25(36-2)10-5-11-26(27)37-3/h4-5,7-8,10-15,18,23-24H,6,9,16-17H2,1-3H3,(H,30,32)(H,33,34)/t23-,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	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]VCAM-Ig binding to human integrin alpha4-beta1 (VLA-4) of Jurkat cells				Bioorg Med Chem Lett 12: 2205-8 (2002) BindingDB Entry DOI: 10.7270/Q2N29W8Z
					More data for this Ligand-Target Pair