BDBM50339167 CHEMBL1689399::N-((4S,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S)-16-((1H-imidazol-5-yl)methyl)-22-((1H-indol-3-yl)methyl)-34-((S)-1-amino-3-hydroxy-1-oxopropan-2-ylcarbamoyl)-10-benzyl-28-(3-guanidinopropyl)-19-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-4,31-diisobutyl-13-(4-methacrylamidobutyl)-25-methyl-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-3,6,9,12,15,18,21,24,27,30,33-undecaazaoctatriacontan-38-yl)-2-(4-methoxyphenyl)-2H-tetrazole-5-carboxamide

SMILES: COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)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=BZEOPCATSFOUGA-NCIQRGHISA-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 = 50339167   

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))	BDBM50339167 (CHEMBL1689399 | N-((4S,7S,10S,13S,16S,19S,22S,25S,...) Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)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,wU:74.86,48.62,32.41,20.22,113.124,98.112,wD:84.100,62.75,43.45,24.30,128.134,109.116,122.130,(45.65,16.47,;44.12,16.62,;43.22,15.38,;43.85,13.98,;42.95,12.74,;41.43,12.9,;40.79,14.29,;41.69,15.54,;40.52,11.65,;38.99,11.65,;38.51,10.19,;39.76,9.29,;41,10.19,;39.76,7.76,;41.09,6.97,;38.43,6.97,;38.43,5.43,;37.1,4.66,;37.1,3.13,;35.77,2.36,;35.78,.82,;34.44,.05,;33.11,.81,;33.11,2.36,;31.77,.04,;31.77,-1.5,;33.11,-2.27,;33.11,-3.81,;34.45,-1.5,;30.43,.81,;29.09,.04,;29.09,-1.5,;27.76,.81,;27.76,2.35,;29.09,3.13,;29.09,4.66,;30.42,5.44,;30.41,6.97,;31.74,7.75,;29.08,7.74,;26.43,.03,;25.09,.81,;25.09,2.35,;23.75,.03,;23.75,-1.51,;22.42,.8,;21.08,.03,;21.08,-1.51,;19.75,.8,;19.75,2.35,;21.08,3.11,;22.49,2.49,;23.52,3.64,;22.74,4.97,;23.22,6.44,;22.19,7.59,;20.68,7.27,;20.2,5.8,;21.24,4.65,;18.41,.02,;17.08,.8,;17.08,2.34,;15.74,.02,;15.74,-1.52,;17.08,-2.29,;18.41,-1.52,;19.75,-2.28,;19.75,-3.83,;21.09,-4.59,;18.42,-4.6,;17.08,-3.83,;14.4,.79,;13.07,.02,;13.07,-1.52,;11.74,.79,;11.74,2.33,;13.07,3.1,;14.48,2.48,;15.5,3.63,;14.73,4.97,;13.22,4.64,;10.4,.02,;9.07,.78,;9.07,2.33,;7.73,.01,;7.73,-1.53,;6.4,-2.3,;6.4,-3.83,;5.07,-4.6,;5.07,-6.14,;3.74,-6.91,;2.41,-6.14,;3.75,-8.45,;2.42,-9.22,;5.08,-9.21,;6.39,.78,;5.05,.01,;5.05,-1.53,;3.72,.78,;3.72,2.32,;5.05,3.1,;6.39,2.33,;7.73,3.1,;7.72,4.64,;6.39,5.41,;5.05,4.64,;2.38,0,;1.05,.78,;1.05,2.32,;-.29,.01,;-1.62,.77,;-2.96,.01,;-2.96,-1.54,;-4.3,.77,;-4.3,2.32,;-2.97,3.08,;-2.97,4.63,;-1.63,2.32,;-5.63,0,;-6.96,.77,;-8.29,0,;-6.96,2.31,;-.29,-1.54,;-1.62,-2.31,;1.05,-2.31,;37.11,.05,;37.11,-1.49,;38.45,.82,;39.78,.05,;39.78,-1.49,;41.12,-2.26,;41.12,.83,;42.46,.05,;41.12,2.37,)| Show InChI InChI=1S/C90H125N25O19/c1-49(2)39-67(101-54(9)118)87(131)111-74(53(8)117)88(132)109-70(41-55-21-12-11-13-22-55)84(128)104-64(25-16-18-36-95-77(121)51(5)6)79(123)108-72(44-58-46-94-48-99-58)86(130)106-69(42-56-28-32-60(119)33-29-56)85(129)107-71(43-57-45-98-63-24-15-14-23-62(57)63)82(126)100-52(7)78(122)102-66(27-20-38-97-90(92)93)80(124)105-68(40-50(3)4)83(127)103-65(81(125)110-73(47-116)75(91)120)26-17-19-37-96-89(133)76-112-114-115(113-76)59-30-34-61(134-10)35-31-59/h11-15,21-24,28-35,45-46,48-50,52-53,64-74,98,116-117,119H,5,16-20,25-27,36-44,47H2,1-4,6-10H3,(H2,91,120)(H,94,99)(H,95,121)(H,96,133)(H,100,126)(H,101,118)(H,102,122)(H,103,127)(H,104,128)(H,105,124)(H,106,130)(H,107,129)(H,108,123)(H,109,132)(H,110,125)(H,111,131)(H4,92,93,97)/t52-,53+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,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	240	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))	BDBM50339167 (CHEMBL1689399 | N-((4S,7S,10S,13S,16S,19S,22S,25S,...) Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)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,wU:74.86,48.62,32.41,20.22,113.124,98.112,wD:84.100,62.75,43.45,24.30,128.134,109.116,122.130,(45.65,16.47,;44.12,16.62,;43.22,15.38,;43.85,13.98,;42.95,12.74,;41.43,12.9,;40.79,14.29,;41.69,15.54,;40.52,11.65,;38.99,11.65,;38.51,10.19,;39.76,9.29,;41,10.19,;39.76,7.76,;41.09,6.97,;38.43,6.97,;38.43,5.43,;37.1,4.66,;37.1,3.13,;35.77,2.36,;35.78,.82,;34.44,.05,;33.11,.81,;33.11,2.36,;31.77,.04,;31.77,-1.5,;33.11,-2.27,;33.11,-3.81,;34.45,-1.5,;30.43,.81,;29.09,.04,;29.09,-1.5,;27.76,.81,;27.76,2.35,;29.09,3.13,;29.09,4.66,;30.42,5.44,;30.41,6.97,;31.74,7.75,;29.08,7.74,;26.43,.03,;25.09,.81,;25.09,2.35,;23.75,.03,;23.75,-1.51,;22.42,.8,;21.08,.03,;21.08,-1.51,;19.75,.8,;19.75,2.35,;21.08,3.11,;22.49,2.49,;23.52,3.64,;22.74,4.97,;23.22,6.44,;22.19,7.59,;20.68,7.27,;20.2,5.8,;21.24,4.65,;18.41,.02,;17.08,.8,;17.08,2.34,;15.74,.02,;15.74,-1.52,;17.08,-2.29,;18.41,-1.52,;19.75,-2.28,;19.75,-3.83,;21.09,-4.59,;18.42,-4.6,;17.08,-3.83,;14.4,.79,;13.07,.02,;13.07,-1.52,;11.74,.79,;11.74,2.33,;13.07,3.1,;14.48,2.48,;15.5,3.63,;14.73,4.97,;13.22,4.64,;10.4,.02,;9.07,.78,;9.07,2.33,;7.73,.01,;7.73,-1.53,;6.4,-2.3,;6.4,-3.83,;5.07,-4.6,;5.07,-6.14,;3.74,-6.91,;2.41,-6.14,;3.75,-8.45,;2.42,-9.22,;5.08,-9.21,;6.39,.78,;5.05,.01,;5.05,-1.53,;3.72,.78,;3.72,2.32,;5.05,3.1,;6.39,2.33,;7.73,3.1,;7.72,4.64,;6.39,5.41,;5.05,4.64,;2.38,0,;1.05,.78,;1.05,2.32,;-.29,.01,;-1.62,.77,;-2.96,.01,;-2.96,-1.54,;-4.3,.77,;-4.3,2.32,;-2.97,3.08,;-2.97,4.63,;-1.63,2.32,;-5.63,0,;-6.96,.77,;-8.29,0,;-6.96,2.31,;-.29,-1.54,;-1.62,-2.31,;1.05,-2.31,;37.11,.05,;37.11,-1.49,;38.45,.82,;39.78,.05,;39.78,-1.49,;41.12,-2.26,;41.12,.83,;42.46,.05,;41.12,2.37,)| Show InChI InChI=1S/C90H125N25O19/c1-49(2)39-67(101-54(9)118)87(131)111-74(53(8)117)88(132)109-70(41-55-21-12-11-13-22-55)84(128)104-64(25-16-18-36-95-77(121)51(5)6)79(123)108-72(44-58-46-94-48-99-58)86(130)106-69(42-56-28-32-60(119)33-29-56)85(129)107-71(43-57-45-98-63-24-15-14-23-62(57)63)82(126)100-52(7)78(122)102-66(27-20-38-97-90(92)93)80(124)105-68(40-50(3)4)83(127)103-65(81(125)110-73(47-116)75(91)120)26-17-19-37-96-89(133)76-112-114-115(113-76)59-30-34-61(134-10)35-31-59/h11-15,21-24,28-35,45-46,48-50,52-53,64-74,98,116-117,119H,5,16-20,25-27,36-44,47H2,1-4,6-10H3,(H2,91,120)(H,94,99)(H,95,121)(H,96,133)(H,100,126)(H,101,118)(H,102,122)(H,103,127)(H,104,128)(H,105,124)(H,106,130)(H,107,129)(H,108,123)(H,109,132)(H,110,125)(H,111,131)(H4,92,93,97)/t52-,53+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,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	15	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