BDBM50108208 (S)-2-{[(2S,3S)-1-(3,5-Dichloro-benzenesulfonyl)-3-hydroxy-pyrrolidine-2-carbonyl]-amino}-3-(2'-methoxy-biphenyl-4-yl)-propionic acid::CHEMBL29018

SMILES: COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2[C@@H](O)CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(O)=O)cc1

InChI Key: InChIKey=LTMQOAYQBDWTIQ-LSQMVHIFSA-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 = 50108208   

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 α4β7 (Homo sapiens (Human))	BDBM50108208 ((S)-2-{[(2S,3S)-1-(3,5-Dichloro-benzenesulfonyl)-3...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2[C@@H](O)CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(O)=O)cc1 Show InChI InChI=1S/C27H26Cl2N2O7S/c1-38-24-5-3-2-4-21(24)17-8-6-16(7-9-17)12-22(27(34)35)30-26(33)25-23(32)10-11-31(25)39(36,37)20-14-18(28)13-19(29)15-20/h2-9,13-15,22-23,25,32H,10-12H2,1H3,(H,30,33)(H,34,35)/t22-,23-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of integrin alpha4-beta7 of human RPMI-8866 cells				Bioorg Med Chem Lett 12: 133-6 (2001) BindingDB Entry DOI: 10.7270/Q2DR2TSX
					More data for this Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50108208 ((S)-2-{[(2S,3S)-1-(3,5-Dichloro-benzenesulfonyl)-3...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2[C@@H](O)CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(O)=O)cc1 Show InChI InChI=1S/C27H26Cl2N2O7S/c1-38-24-5-3-2-4-21(24)17-8-6-16(7-9-17)12-22(27(34)35)30-26(33)25-23(32)10-11-31(25)39(36,37)20-14-18(28)13-19(29)15-20/h2-9,13-15,22-23,25,32H,10-12H2,1H3,(H,30,33)(H,34,35)/t22-,23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of integrin alpha4-beta1 of human Jurkat cells				Bioorg Med Chem Lett 12: 133-6 (2001) BindingDB Entry DOI: 10.7270/Q2DR2TSX
					More data for this Ligand-Target Pair