BDBM50383795 CHEMBL2030797

SMILES: CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3)C(O)=O)cc2)n1

InChI Key: InChIKey=LBMGZTODNZDURL-NRFANRHFSA-N

Data: 4 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 4 hits for monomerid = 50383795   

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))	BDBM50383795 (CHEMBL2030797) Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C24H25N3O4/c1-25-22-9-5-8-19(26-22)14-15-31-20-12-10-17(11-13-20)16-21(24(29)30)27-23(28)18-6-3-2-4-7-18/h2-13,21H,14-16H2,1H3,(H,25,26)(H,27,28)(H,29,30)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion				Bioorg Med Chem Lett 22: 4117-21 (2012) Article DOI: 10.1016/j.bmcl.2012.04.061 BindingDB Entry DOI: 10.7270/Q2M61M8P
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50383795 (CHEMBL2030797) Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C24H25N3O4/c1-25-22-9-5-8-19(26-22)14-15-31-20-12-10-17(11-13-20)16-21(24(29)30)27-23(28)18-6-3-2-4-7-18/h2-13,21H,14-16H2,1H3,(H,25,26)(H,27,28)(H,29,30)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+				Bioorg Med Chem Lett 22: 4117-21 (2012) Article DOI: 10.1016/j.bmcl.2012.04.061 BindingDB Entry DOI: 10.7270/Q2M61M8P
					More data for this Ligand-Target Pair
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50383795 (CHEMBL2030797) Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C24H25N3O4/c1-25-22-9-5-8-19(26-22)14-15-31-20-12-10-17(11-13-20)16-21(24(29)30)27-23(28)18-6-3-2-4-7-18/h2-13,21H,14-16H2,1H3,(H,25,26)(H,27,28)(H,29,30)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429				Bioorg Med Chem Lett 22: 4117-21 (2012) Article DOI: 10.1016/j.bmcl.2012.04.061 BindingDB Entry DOI: 10.7270/Q2M61M8P
					More data for this Ligand-Target Pair
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50383795 (CHEMBL2030797) Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C24H25N3O4/c1-25-22-9-5-8-19(26-22)14-15-31-20-12-10-17(11-13-20)16-21(24(29)30)27-23(28)18-6-3-2-4-7-18/h2-13,21H,14-16H2,1H3,(H,25,26)(H,27,28)(H,29,30)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to integrin alpha5beta1				Bioorg Med Chem Lett 22: 4117-21 (2012) Article DOI: 10.1016/j.bmcl.2012.04.061 BindingDB Entry DOI: 10.7270/Q2M61M8P
					More data for this Ligand-Target Pair