BDBM50339163 CHEMBL1689395::N-((4S,7S,10S,13S,16S,19S,22S,25S)-16-((1H-imidazol-5-yl)methyl)-22-((1H-indol-3-yl)methyl)-10-benzyl-25-((6S,9S,12S,15S)-1,16-diamino-12-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-1-imino-9-isobutyl-7,10,13,16-tetraoxo-2,8,11,14-tetraazahexadecan-6-ylcarbamoyl)-19-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-4-isobutyl-13-(4-methacrylamidobutyl)-2,5,8,11,14,17,20,23-octaoxo-3,6,9,12,15,18,21,24-octaazanonacosan-29-yl)-2-(4-methoxyphenyl)-2H-tetrazole-5-carboxamide

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

InChI Key: InChIKey=GGDQBGDHZZBTNG-CBIKVEOWSA-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 = 50339163   

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))	BDBM50339163 (CHEMBL1689395 | N-((4S,7S,10S,13S,16S,19S,22S,25S)...) Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](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](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:50.62,24.38,104.110,123.129,124.132,89.100,74.88,wD:60.76,38.51,20.22,115.121,130.136,85.92,98.106,(50.55,-56.08,;52.09,-56.23,;52.99,-54.99,;52.36,-53.58,;53.26,-52.33,;54.79,-52.5,;55.42,-53.89,;54.53,-55.14,;55.7,-51.25,;57.24,-51.25,;57.71,-49.78,;56.46,-48.88,;55.22,-49.78,;56.46,-47.34,;57.79,-46.57,;55.12,-46.57,;55.12,-45.03,;53.79,-44.26,;53.79,-42.72,;52.45,-41.95,;52.45,-40.41,;51.12,-39.65,;49.78,-40.42,;49.78,-41.95,;48.45,-39.65,;48.45,-38.11,;49.78,-37.34,;51.18,-37.96,;52.21,-36.82,;51.44,-35.48,;51.92,-34.01,;50.88,-32.87,;49.38,-33.19,;48.9,-34.66,;49.94,-35.8,;47.11,-40.42,;45.78,-39.66,;45.78,-38.11,;44.45,-40.43,;44.45,-41.96,;45.78,-42.74,;47.12,-41.96,;48.46,-42.73,;48.45,-44.26,;49.79,-45.03,;47.12,-45.04,;45.79,-44.27,;43.12,-39.65,;41.77,-40.42,;41.77,-41.97,;40.45,-39.66,;40.45,-38.11,;41.77,-37.34,;43.18,-37.97,;44.21,-36.82,;43.44,-35.49,;41.93,-35.81,;39.11,-40.43,;37.78,-39.66,;37.78,-38.12,;36.44,-40.44,;36.45,-41.98,;37.78,-42.74,;37.78,-44.28,;39.12,-45.05,;39.12,-46.59,;40.45,-47.36,;41.79,-46.59,;40.46,-48.9,;41.79,-49.67,;39.12,-49.67,;35.11,-39.67,;33.77,-40.44,;33.77,-41.98,;32.45,-39.67,;32.45,-38.13,;33.77,-37.36,;35.11,-38.12,;36.44,-37.35,;36.44,-35.81,;35.1,-35.04,;33.77,-35.82,;31.11,-40.44,;29.78,-39.67,;29.78,-38.13,;28.44,-40.44,;27.11,-39.67,;25.77,-40.44,;25.77,-41.98,;24.45,-39.67,;24.45,-38.14,;25.77,-37.37,;25.77,-35.82,;27.1,-38.13,;23.11,-40.44,;21.77,-39.67,;20.44,-40.44,;21.77,-38.13,;28.44,-41.98,;27.11,-42.75,;29.78,-42.75,;53.78,-39.64,;53.78,-38.1,;55.11,-40.41,;56.45,-39.64,;56.45,-38.1,;57.79,-37.33,;57.79,-35.79,;59.11,-35.02,;59.11,-33.47,;57.78,-32.7,;60.44,-32.71,;57.79,-40.41,;57.79,-41.95,;59.12,-39.64,;60.45,-40.41,;60.45,-41.94,;61.78,-42.71,;61.78,-44.25,;63.13,-41.94,;61.78,-39.63,;61.78,-38.09,;63.12,-40.4,;64.46,-39.63,;64.46,-38.08,;63.12,-37.32,;65.78,-37.31,;65.78,-40.39,;65.78,-41.94,;67.12,-39.62,;68.45,-40.4,;68.45,-41.93,;69.79,-42.71,;69.79,-39.63,;71.12,-40.39,;69.79,-38.08,)| Show InChI InChI=1S/C91H127N25O20/c1-49(2)39-67(101-54(9)120)86(131)111-74(52(7)118)88(133)109-70(41-55-21-12-11-13-22-55)82(127)103-65(26-16-18-36-96-78(123)51(5)6)80(125)108-72(44-58-46-95-48-100-58)85(130)106-69(42-56-28-32-60(121)33-29-56)83(128)107-71(43-57-45-99-63-24-15-14-23-62(57)63)84(129)104-64(25-17-19-37-97-90(135)77-113-115-116(114-77)59-30-34-61(136-10)35-31-59)79(124)102-66(27-20-38-98-91(93)94)81(126)105-68(40-50(3)4)87(132)112-75(53(8)119)89(134)110-73(47-117)76(92)122/h11-15,21-24,28-35,45-46,48-50,52-53,64-75,99,117-119,121H,5,16-20,25-27,36-44,47H2,1-4,6-10H3,(H2,92,122)(H,95,100)(H,96,123)(H,97,135)(H,101,120)(H,102,124)(H,103,127)(H,104,129)(H,105,126)(H,106,130)(H,107,128)(H,108,125)(H,109,133)(H,110,134)(H,111,131)(H,112,132)(H4,93,94,98)/t52-,53-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+/m1/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	220	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))	BDBM50339163 (CHEMBL1689395 | N-((4S,7S,10S,13S,16S,19S,22S,25S)...) Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](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](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:50.62,24.38,104.110,123.129,124.132,89.100,74.88,wD:60.76,38.51,20.22,115.121,130.136,85.92,98.106,(50.55,-56.08,;52.09,-56.23,;52.99,-54.99,;52.36,-53.58,;53.26,-52.33,;54.79,-52.5,;55.42,-53.89,;54.53,-55.14,;55.7,-51.25,;57.24,-51.25,;57.71,-49.78,;56.46,-48.88,;55.22,-49.78,;56.46,-47.34,;57.79,-46.57,;55.12,-46.57,;55.12,-45.03,;53.79,-44.26,;53.79,-42.72,;52.45,-41.95,;52.45,-40.41,;51.12,-39.65,;49.78,-40.42,;49.78,-41.95,;48.45,-39.65,;48.45,-38.11,;49.78,-37.34,;51.18,-37.96,;52.21,-36.82,;51.44,-35.48,;51.92,-34.01,;50.88,-32.87,;49.38,-33.19,;48.9,-34.66,;49.94,-35.8,;47.11,-40.42,;45.78,-39.66,;45.78,-38.11,;44.45,-40.43,;44.45,-41.96,;45.78,-42.74,;47.12,-41.96,;48.46,-42.73,;48.45,-44.26,;49.79,-45.03,;47.12,-45.04,;45.79,-44.27,;43.12,-39.65,;41.77,-40.42,;41.77,-41.97,;40.45,-39.66,;40.45,-38.11,;41.77,-37.34,;43.18,-37.97,;44.21,-36.82,;43.44,-35.49,;41.93,-35.81,;39.11,-40.43,;37.78,-39.66,;37.78,-38.12,;36.44,-40.44,;36.45,-41.98,;37.78,-42.74,;37.78,-44.28,;39.12,-45.05,;39.12,-46.59,;40.45,-47.36,;41.79,-46.59,;40.46,-48.9,;41.79,-49.67,;39.12,-49.67,;35.11,-39.67,;33.77,-40.44,;33.77,-41.98,;32.45,-39.67,;32.45,-38.13,;33.77,-37.36,;35.11,-38.12,;36.44,-37.35,;36.44,-35.81,;35.1,-35.04,;33.77,-35.82,;31.11,-40.44,;29.78,-39.67,;29.78,-38.13,;28.44,-40.44,;27.11,-39.67,;25.77,-40.44,;25.77,-41.98,;24.45,-39.67,;24.45,-38.14,;25.77,-37.37,;25.77,-35.82,;27.1,-38.13,;23.11,-40.44,;21.77,-39.67,;20.44,-40.44,;21.77,-38.13,;28.44,-41.98,;27.11,-42.75,;29.78,-42.75,;53.78,-39.64,;53.78,-38.1,;55.11,-40.41,;56.45,-39.64,;56.45,-38.1,;57.79,-37.33,;57.79,-35.79,;59.11,-35.02,;59.11,-33.47,;57.78,-32.7,;60.44,-32.71,;57.79,-40.41,;57.79,-41.95,;59.12,-39.64,;60.45,-40.41,;60.45,-41.94,;61.78,-42.71,;61.78,-44.25,;63.13,-41.94,;61.78,-39.63,;61.78,-38.09,;63.12,-40.4,;64.46,-39.63,;64.46,-38.08,;63.12,-37.32,;65.78,-37.31,;65.78,-40.39,;65.78,-41.94,;67.12,-39.62,;68.45,-40.4,;68.45,-41.93,;69.79,-42.71,;69.79,-39.63,;71.12,-40.39,;69.79,-38.08,)| Show InChI InChI=1S/C91H127N25O20/c1-49(2)39-67(101-54(9)120)86(131)111-74(52(7)118)88(133)109-70(41-55-21-12-11-13-22-55)82(127)103-65(26-16-18-36-96-78(123)51(5)6)80(125)108-72(44-58-46-95-48-100-58)85(130)106-69(42-56-28-32-60(121)33-29-56)83(128)107-71(43-57-45-99-63-24-15-14-23-62(57)63)84(129)104-64(25-17-19-37-97-90(135)77-113-115-116(114-77)59-30-34-61(136-10)35-31-59)79(124)102-66(27-20-38-98-91(93)94)81(126)105-68(40-50(3)4)87(132)112-75(53(8)119)89(134)110-73(47-117)76(92)122/h11-15,21-24,28-35,45-46,48-50,52-53,64-75,99,117-119,121H,5,16-20,25-27,36-44,47H2,1-4,6-10H3,(H2,92,122)(H,95,100)(H,96,123)(H,97,135)(H,101,120)(H,102,124)(H,103,127)(H,104,129)(H,105,126)(H,106,130)(H,107,128)(H,108,125)(H,109,133)(H,110,134)(H,111,131)(H,112,132)(H4,93,94,98)/t52-,53-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+/m1/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	71	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