BDBM50222349 2-{[(6S)-1-[(1S)-1-(4-aminophenyl)ethyl]-4-methyl-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl](propyl)carbamoyl}acetic acid::CHEMBL392691

SMILES: CCCN(C(=O)CC(O)=O)C1=C(C)C[C@H](N([C@@H](C)c2ccc(N)cc2)C1=O)c1ccccc1

InChI Key: InChIKey=CCFUBKFBAQEAGV-AVRDEDQJSA-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 = 50222349   

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
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50222349 (2-{[(6S)-1-[(1S)-1-(4-aminophenyl)ethyl]-4-methyl-...) Show SMILES CCCN(C(=O)CC(O)=O)C1=C(C)C[C@H](N([C@@H](C)c2ccc(N)cc2)C1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C26H31N3O4/c1-4-14-28(23(30)16-24(31)32)25-17(2)15-22(20-8-6-5-7-9-20)29(26(25)33)18(3)19-10-12-21(27)13-11-19/h5-13,18,22H,4,14-16,27H2,1-3H3,(H,31,32)/t18-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bologna Curated by ChEMBL					Assay Description Inhibition of integrin alpha5beta1-mediated K562 cell adhesion to fibronectin				Bioorg Med Chem 15: 7380-90 (2007) Article DOI: 10.1016/j.bmc.2007.07.049 BindingDB Entry DOI: 10.7270/Q2N0167H
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50222349 (2-{[(6S)-1-[(1S)-1-(4-aminophenyl)ethyl]-4-methyl-...) Show SMILES CCCN(C(=O)CC(O)=O)C1=C(C)C[C@H](N([C@@H](C)c2ccc(N)cc2)C1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C26H31N3O4/c1-4-14-28(23(30)16-24(31)32)25-17(2)15-22(20-8-6-5-7-9-20)29(26(25)33)18(3)19-10-12-21(27)13-11-19/h5-13,18,22H,4,14-16,27H2,1-3H3,(H,31,32)/t18-,22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bologna Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3-mediated SK-MEL-24 cell adhesion to fibronectin				Bioorg Med Chem 15: 7380-90 (2007) Article DOI: 10.1016/j.bmc.2007.07.049 BindingDB Entry DOI: 10.7270/Q2N0167H
					More data for this Ligand-Target Pair