BDBM50287986 CHEMBL4164619

SMILES: NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1

InChI Key: InChIKey=JYJNRUFKUMSRIN-KRWDZBQOSA-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 = 50287986   

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
MDM2-MDMX (Homo sapiens (Human))	BDBM50287986 (CHEMBL4164619) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c23-22(24)27-16-8-4-7-15(11-16)20(32)26-13-18(29)28-17(12-19(30)31)21(33)25-10-9-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	437	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))	BDBM50287986 (CHEMBL4164619) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c23-22(24)27-16-8-4-7-15(11-16)20(32)26-13-18(29)28-17(12-19(30)31)21(33)25-10-9-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t17-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	219	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
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50287986 (CHEMBL4164619) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c23-22(24)27-16-8-4-7-15(11-16)20(32)26-13-18(29)28-17(12-19(30)31)21(33)25-10-9-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	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))	BDBM50287986 (CHEMBL4164619) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c23-22(24)27-16-8-4-7-15(11-16)20(32)26-13-18(29)28-17(12-19(30)31)21(33)25-10-9-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	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