BDBM50403867 CHEMBL2115098

SMILES: OC(=O)C[C@H](NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1ccc2OCOc2c1

InChI Key: InChIKey=OXVBGNHXQPUFKF-HNNXBMFYSA-N

Data: 3 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 3 hits for monomerid = 50403867   

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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50403867 (CHEMBL2115098) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1ccc2OCOc2c1 |r,t:17| Show InChI InChI=1S/C22H24N4O6S/c27-19(26-22-23-8-1-9-24-22)7-4-14-3-6-18(33-14)21(30)25-15(11-20(28)29)13-2-5-16-17(10-13)32-12-31-16/h2-3,5-6,10,15H,1,4,7-9,11-12H2,(H,25,30)(H,28,29)(H2,23,24,26,27)/t15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Concentration required to reduce binding of human 293 cell attachment to immobilized vitronectin receptor(Vn/293) by 50%				Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50403867 (CHEMBL2115098) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1ccc2OCOc2c1 |r,t:17| Show InChI InChI=1S/C22H24N4O6S/c27-19(26-22-23-8-1-9-24-22)7-4-14-3-6-18(33-14)21(30)25-15(11-20(28)29)13-2-5-16-17(10-13)32-12-31-16/h2-3,5-6,10,15H,1,4,7-9,11-12H2,(H,25,30)(H,28,29)(H2,23,24,26,27)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Concentration required to reduce binding of fibrinogen (Fg) to alpha IIb beta3 integrin by 50%				Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50403867 (CHEMBL2115098) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1ccc2OCOc2c1 |r,t:17| Show InChI InChI=1S/C22H24N4O6S/c27-19(26-22-23-8-1-9-24-22)7-4-14-3-6-18(33-14)21(30)25-15(11-20(28)29)13-2-5-16-17(10-13)32-12-31-16/h2-3,5-6,10,15H,1,4,7-9,11-12H2,(H,25,30)(H,28,29)(H2,23,24,26,27)/t15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Concentration required to reduce binding of fibrinogen (Fg) to alpha IIb beta3 integrin by 50%				Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930
					More data for this Ligand-Target Pair