BindingDB PrimarySearch

BDBM50117069 (S)-2-(2-Chloro-6-methyl-benzoylamino)-3-[4-(2,6-dichloro-benzoylamino)-phenyl]-propionic acid::CHEMBL81990

SMILES: Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O

InChI Key: InChIKey=JTVWJXUGGJTGDA-IBGZPJMESA-N

Data: 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50117069
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Integrin alpha2/beta1 (Homo sapiens (Human))	BDBM50117069 ((S)-2-(2-Chloro-6-methyl-benzoylamino)-3-[4-(2,6-d...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...				ACS Med Chem Lett 5: 193-8 (2014) Article DOI: 10.1021/ml4004556 BindingDB Entry DOI: 10.7270/Q2P84DDF
Sanofi R&D Curated by ChEMBL					More data for this Ligand-Target Pair
Integrin α4β7 (Homo sapiens (Human))	BDBM50117069 ((S)-2-(2-Chloro-6-methyl-benzoylamino)-3-[4-(2,6-d...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of human MAdCAM1 binding to integrin alpha4beta7 receptor in human RPMI 8866 cells labeled with Calcein AM				Bioorg Med Chem Lett 23: 1036-40 (2013) Article DOI: 10.1016/j.bmcl.2012.12.019 BindingDB Entry DOI: 10.7270/Q2KD207X
Hoffmann-La Roche Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50117069 ((S)-2-(2-Chloro-6-methyl-benzoylamino)-3-[4-(2,6-d...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of human VCAM1 binding to integrin alpha4beta1 receptor in human Ramos cells labeled with Calcein AM				Bioorg Med Chem Lett 23: 1036-40 (2013) Article DOI: 10.1016/j.bmcl.2012.12.019 BindingDB Entry DOI: 10.7270/Q2KD207X
Hoffmann-La Roche Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50117069 ((S)-2-(2-Chloro-6-methyl-benzoylamino)-3-[4-(2,6-d...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibitory binding concentration against VCAM/VLA-4 in ELISA.				Bioorg Med Chem Lett 12: 2479-82 (2002) BindingDB Entry DOI: 10.7270/Q2V989C5
Hoffmann-La Roche Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50117069 ((S)-2-(2-Chloro-6-methyl-benzoylamino)-3-[4-(2,6-d...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of human VCAM1 binding to integrin alpha4beta1 receptor in human Ramos cells labeled with Calcein AM				Bioorg Med Chem Lett 23: 1026-31 (2013) Article DOI: 10.1016/j.bmcl.2012.12.026 BindingDB Entry DOI: 10.7270/Q2FN17JN
Hoffmann-La Roche Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50117069 ((S)-2-(2-Chloro-6-methyl-benzoylamino)-3-[4-(2,6-d...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibitory binding concentration against VCAM/VLA-4 in Ramos.				Bioorg Med Chem Lett 12: 2479-82 (2002) BindingDB Entry DOI: 10.7270/Q2V989C5
Hoffmann-La Roche Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Integrin α4β7 (Homo sapiens (Human))	BDBM50117069 ((S)-2-(2-Chloro-6-methyl-benzoylamino)-3-[4-(2,6-d...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of human MAdCAM1 binding to integrin alpha4beta7 receptor in human RPMI 8866 cells labeled with Calcein AM				Bioorg Med Chem Lett 23: 1026-31 (2013) Article DOI: 10.1016/j.bmcl.2012.12.026 BindingDB Entry DOI: 10.7270/Q2FN17JN
Hoffmann-La Roche Inc. Curated by ChEMBL					More data for this Ligand-Target Pair