BDBM50151650 CHEMBL3775229

SMILES: CNC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)CNC(=O)CNC(=O)NC(CCCCNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(O)=O)C(C)O)C(C)O)C(C)O

InChI Key: InChIKey=XNERBKYJGCJFIG-BLUPNQQFSA-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 = 50151650   

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
Histone acetyltransferase PCAF (Homo sapiens (Human))	BDBM50151650 (CHEMBL3775229) Show SMILES CNC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)CNC(=O)CNC(=O)NC(CCCCNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(O)=O)C(C)O)C(C)O)C(C)O Show InChI InChI=1S/C116H205N42O45P3S/c1-56(2)46-72(102(181)145-66(27-20-39-132-112(122)123)94(173)141-59(6)93(172)155-84(62(9)161)106(185)149-71(32-34-78(120)164)99(178)144-65(25-15-18-37-118)101(180)156-85(63(10)162)107(186)148-67(28-21-40-133-113(124)125)95(174)140-58(5)92(171)128-13)150-103(182)74(50-159)152-105(184)83(61(8)160)154-81(167)49-135-80(166)48-136-115(191)153-69(96(175)142-60(7)109(188)157-44-23-30-75(157)104(183)147-68(29-22-41-134-114(126)127)98(177)143-64(24-14-17-36-117)97(176)146-70(31-33-77(119)163)100(179)151-73(111(189)190)47-57(3)4)26-16-19-38-129-82(168)52-207-45-43-130-79(165)35-42-131-108(187)89(170)116(11,12)53-200-206(197,198)203-205(195,196)199-51-76-88(202-204(192,193)194)87(169)110(201-76)158-55-139-86-90(121)137-54-138-91(86)158/h54-76,83-85,87-89,110,159-162,169-170H,14-53,117-118H2,1-13H3,(H2,119,163)(H2,120,164)(H,128,171)(H,129,168)(H,130,165)(H,131,187)(H,135,166)(H,140,174)(H,141,173)(H,142,175)(H,143,177)(H,144,178)(H,145,181)(H,146,176)(H,147,183)(H,148,186)(H,149,185)(H,150,182)(H,151,179)(H,152,184)(H,154,167)(H,155,172)(H,156,180)(H,189,190)(H,195,196)(H,197,198)(H2,121,137,138)(H4,122,123,132)(H4,124,125,133)(H4,126,127,134)(H2,136,153,191)(H2,192,193,194)/t58-,59-,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76?,83-,84-,85-,87?,88+,89-,110?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FLAG-tagged PCAF expressed in baculovirus expression system using histone substrate incubated for 10 mins...				J Med Chem 59: 1249-70 (2016) BindingDB Entry DOI: 10.7270/Q2DV1MRN
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50151650 (CHEMBL3775229) Show SMILES CNC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)CNC(=O)CNC(=O)NC(CCCCNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(O)=O)C(C)O)C(C)O)C(C)O Show InChI InChI=1S/C116H205N42O45P3S/c1-56(2)46-72(102(181)145-66(27-20-39-132-112(122)123)94(173)141-59(6)93(172)155-84(62(9)161)106(185)149-71(32-34-78(120)164)99(178)144-65(25-15-18-37-118)101(180)156-85(63(10)162)107(186)148-67(28-21-40-133-113(124)125)95(174)140-58(5)92(171)128-13)150-103(182)74(50-159)152-105(184)83(61(8)160)154-81(167)49-135-80(166)48-136-115(191)153-69(96(175)142-60(7)109(188)157-44-23-30-75(157)104(183)147-68(29-22-41-134-114(126)127)98(177)143-64(24-14-17-36-117)97(176)146-70(31-33-77(119)163)100(179)151-73(111(189)190)47-57(3)4)26-16-19-38-129-82(168)52-207-45-43-130-79(165)35-42-131-108(187)89(170)116(11,12)53-200-206(197,198)203-205(195,196)199-51-76-88(202-204(192,193)194)87(169)110(201-76)158-55-139-86-90(121)137-54-138-91(86)158/h54-76,83-85,87-89,110,159-162,169-170H,14-53,117-118H2,1-13H3,(H2,119,163)(H2,120,164)(H,128,171)(H,129,168)(H,130,165)(H,131,187)(H,135,166)(H,140,174)(H,141,173)(H,142,175)(H,143,177)(H,144,178)(H,145,181)(H,146,176)(H,147,183)(H,148,186)(H,149,185)(H,150,182)(H,151,179)(H,152,184)(H,154,167)(H,155,172)(H,156,180)(H,189,190)(H,195,196)(H,197,198)(H2,121,137,138)(H4,122,123,132)(H4,124,125,133)(H4,126,127,134)(H2,136,153,191)(H2,192,193,194)/t58-,59-,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76?,83-,84-,85-,87?,88+,89-,110?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FLAG-tagged p300 expressed in baculovirus expression system using histone substrate incubated for 10 mins...				J Med Chem 59: 1249-70 (2016) BindingDB Entry DOI: 10.7270/Q2DV1MRN
					More data for this Ligand-Target Pair