BDBM50373011 CHEMBL404430

SMILES: COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2cc(F)ccc2Cl)C(O)=O)cc1

InChI Key: InChIKey=GRCQDFIJVDYPTO-KRWDZBQOSA-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 = 50373011   

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))	BDBM50373011 (CHEMBL404430) Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2cc(F)ccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C22H19ClFN3O5/c1-27-21(29)19(18(32-2)11-25-27)13-5-3-12(4-6-13)9-17(22(30)31)26-20(28)15-10-14(24)7-8-16(15)23/h3-8,10-11,17H,9H2,1-2H3,(H,26,28)(H,30,31)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1				Bioorg Med Chem Lett 18: 1331-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.022 BindingDB Entry DOI: 10.7270/Q2TD9Z6W
					More data for this Ligand-Target Pair
Integrin α4β7 (Homo sapiens (Human))	BDBM50373011 (CHEMBL404430) Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2cc(F)ccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C22H19ClFN3O5/c1-27-21(29)19(18(32-2)11-25-27)13-5-3-12(4-6-13)9-17(22(30)31)26-20(28)15-10-14(24)7-8-16(15)23/h3-8,10-11,17H,9H2,1-2H3,(H,26,28)(H,30,31)/t17-/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	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human integrin alpha-4-beta-7-mediated K562 cell adhesion to immobilized MAdCAM1				Bioorg Med Chem Lett 18: 1331-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.022 BindingDB Entry DOI: 10.7270/Q2TD9Z6W
					More data for this Ligand-Target Pair