BDBM50339166 CHEMBL1689398

SMILES: COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O

InChI Key: InChIKey=DNNRLXNYLTYSJN-VHAXCVKWSA-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 = 50339166   

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
p53-Binding Protein HDMX (Homo sapiens (Human))	BDBM50339166 (CHEMBL1689398) Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C89H121N23O20/c1-48(2)38-66(98-53(9)115)87(129)108-74(52(8)114)88(130)106-69(40-54-20-12-11-13-21-54)84(126)101-63(24-16-18-36-93-77(119)50(5)6)79(121)105-71(43-57-45-92-47-96-57)86(128)103-68(41-55-26-30-59(116)31-27-55)85(127)104-70(42-56-44-95-62-23-15-14-22-61(56)62)82(124)97-51(7)78(120)99-65(34-35-73(90)117)81(123)102-67(39-49(3)4)83(125)100-64(80(122)107-72(46-113)75(91)118)25-17-19-37-94-89(131)76-109-111-112(110-76)58-28-32-60(132-10)33-29-58/h11-15,20-23,26-33,44-45,47-49,51-52,63-72,74,95,113-114,116H,5,16-19,24-25,34-43,46H2,1-4,6-10H3,(H2,90,117)(H2,91,118)(H,92,96)(H,93,119)(H,94,131)(H,97,124)(H,98,115)(H,99,120)(H,100,125)(H,101,126)(H,102,123)(H,103,128)(H,104,127)(H,105,121)(H,106,130)(H,107,122)(H,108,129)/t51-,52+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,74-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...				Bioorg Med Chem Lett 21: 1472-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.004 BindingDB Entry DOI: 10.7270/Q2M32W33
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50339166 (CHEMBL1689398) Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C89H121N23O20/c1-48(2)38-66(98-53(9)115)87(129)108-74(52(8)114)88(130)106-69(40-54-20-12-11-13-21-54)84(126)101-63(24-16-18-36-93-77(119)50(5)6)79(121)105-71(43-57-45-92-47-96-57)86(128)103-68(41-55-26-30-59(116)31-27-55)85(127)104-70(42-56-44-95-62-23-15-14-22-61(56)62)82(124)97-51(7)78(120)99-65(34-35-73(90)117)81(123)102-67(39-49(3)4)83(125)100-64(80(122)107-72(46-113)75(91)118)25-17-19-37-94-89(131)76-109-111-112(110-76)58-28-32-60(132-10)33-29-58/h11-15,20-23,26-33,44-45,47-49,51-52,63-72,74,95,113-114,116H,5,16-19,24-25,34-43,46H2,1-4,6-10H3,(H2,90,117)(H2,91,118)(H,92,96)(H,93,119)(H,94,131)(H,97,124)(H,98,115)(H,99,120)(H,100,125)(H,101,126)(H,102,123)(H,103,128)(H,104,127)(H,105,121)(H,106,130)(H,107,122)(H,108,129)/t51-,52+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,74-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio...				Bioorg Med Chem Lett 21: 1472-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.004 BindingDB Entry DOI: 10.7270/Q2M32W33
					More data for this Ligand-Target Pair