BDBM50287989 CHEMBL4173588

SMILES: C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1)c1ccccc1

InChI Key: InChIKey=QYKHSZCOMAXNCJ-GUYCJALGSA-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 = 50287989   

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))	BDBM50287989 (CHEMBL4173588) Show SMILES C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c1-13(14-6-3-2-4-7-14)26-21(33)17(11-19(30)31)28-18(29)12-25-20(32)15-8-5-9-16(10-15)27-22(23)24/h2-10,13,17H,11-12H2,1H3,(H,25,32)(H,26,33)(H,28,29)(H,30,31)(H4,23,24,27)/t13-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50287989 (CHEMBL4173588) Show SMILES C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c1-13(14-6-3-2-4-7-14)26-21(33)17(11-19(30)31)28-18(29)12-25-20(32)15-8-5-9-16(10-15)27-22(23)24/h2-10,13,17H,11-12H2,1H3,(H,25,32)(H,26,33)(H,28,29)(H,30,31)(H4,23,24,27)/t13-,17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50287989 (CHEMBL4173588) Show SMILES C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c1-13(14-6-3-2-4-7-14)26-21(33)17(11-19(30)31)28-18(29)12-25-20(32)15-8-5-9-16(10-15)27-22(23)24/h2-10,13,17H,11-12H2,1H3,(H,25,32)(H,26,33)(H,28,29)(H,30,31)(H4,23,24,27)/t13-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Displacement of p53 from MDM2 in human U87MG cells incubated for 10 mins by sandwich ELISA method				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
p53-Binding Protein HDMX (Homo sapiens (Human))	BDBM50287989 (CHEMBL4173588) Show SMILES C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c1-13(14-6-3-2-4-7-14)26-21(33)17(11-19(30)31)28-18(29)12-25-20(32)15-8-5-9-16(10-15)27-22(23)24/h2-10,13,17H,11-12H2,1H3,(H,25,32)(H,26,33)(H,28,29)(H,30,31)(H4,23,24,27)/t13-,17-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Displacement of p53 from MDM4 in human SHSY-5Y cells incubated for 10 mins by sandwich ELISA method				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair