null

SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OCCCOP(O)(=O)OCCCOP(O)(=O)OCCCOP(O)(=O)OCCCOP(O)(=O)OCCCOP(O)(=O)OCCCOP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)OCCCCCCNC(=O)c3cc(Cl)c(C(O)=O)c(c3Cl)-c3c4cc(Cl)c(O)c(Cl)c4oc4c(Cl)c(=O)c(Cl)cc34)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c3nc(N)[nH]c4=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=QDJXHBINRDTWMT-GRKHOWQISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50484881   

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
Integrase (Human immunodeficiency virus 1)	BDBM50484881 (CHEMBL2012131) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OCCCOP(O)(=O)OCCCOP(O)(=O)OCCCOP(O)(=O)OCCCOP(O)(=O)OCCCOP(O)(=O)OCCCOP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)OCCCCCCNC(=O)c3cc(Cl)c(C(O)=O)c(c3Cl)-c3c4cc(Cl)c(O)c(Cl)c4oc4c(Cl)c(=O)c(Cl)cc34)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c3nc(N)[nH]c4=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O |r,wU:4.3,65.190,8.8,76.180,100.104,98.154,89.92,87.167,78.80,67.68,wD:6.6,63.62,74.74,96.98,85.86,(20.94,-30.07,;20.17,-28.74,;20.91,-27.41,;20.12,-26.09,;20.88,-24.74,;20.1,-23.41,;21.12,-22.26,;20.79,-20.76,;22.53,-22.88,;23.86,-22.1,;25.2,-22.86,;26.52,-22.08,;26.52,-23.62,;28.01,-22.47,;26.51,-20.54,;27.84,-19.74,;27.8,-18.2,;29.11,-17.41,;30.45,-18.18,;30.38,-19.72,;29.25,-20.75,;29.09,-18.88,;31.72,-20.48,;31.72,-22.02,;33.06,-22.79,;33.07,-24.33,;31.75,-25.12,;31.65,-26.66,;30.51,-27.68,;30.37,-25.8,;32.98,-27.44,;32.97,-28.98,;34.29,-29.76,;34.28,-31.3,;35.61,-32.08,;37.16,-32.09,;38.64,-31.68,;37.14,-30.55,;37.92,-33.43,;39.46,-33.44,;40.22,-34.77,;41.76,-34.78,;42.53,-36.11,;44.08,-36.12,;45.55,-35.72,;44.06,-34.58,;44.91,-37.42,;44.2,-38.79,;42.66,-38.86,;41.96,-40.23,;40.42,-40.3,;39.71,-41.67,;40.79,-42.76,;38.93,-43,;38.17,-41.67,;37.47,-43.03,;35.93,-43.11,;35.22,-44.47,;33.68,-44.55,;32.35,-43.77,;33.11,-42.42,;32.34,-45.31,;30.8,-43.77,;29.89,-42.51,;30.37,-41.05,;29.11,-40.13,;27.87,-41.05,;28.34,-42.51,;27.57,-43.86,;26.02,-43.87,;25.26,-45.21,;26.6,-45.99,;25.25,-46.76,;23.71,-45.21,;22.8,-43.96,;23.28,-42.49,;22.03,-41.58,;20.78,-42.49,;21.25,-43.96,;20.49,-45.3,;18.94,-45.31,;18.17,-46.66,;19.51,-47.44,;18.16,-48.21,;16.62,-46.66,;15.71,-45.4,;16.19,-43.93,;14.93,-43.02,;13.68,-43.93,;14.16,-45.4,;13.39,-46.74,;11.85,-46.75,;11.08,-48.1,;12.42,-48.88,;11.08,-49.65,;9.54,-48.1,;8.62,-46.85,;9.08,-45.38,;7.83,-44.48,;6.58,-45.39,;7.07,-46.87,;6.45,-48.28,;4.9,-48.28,;4.13,-46.94,;2.79,-46.17,;4.12,-45.4,;2.8,-47.72,;1.47,-46.95,;.13,-47.72,;-1.2,-46.96,;-2.53,-47.73,;-3.87,-46.97,;-5.2,-47.74,;-6.54,-46.97,;-6.54,-45.43,;-5.22,-44.66,;-7.88,-44.67,;-9.2,-45.45,;-10.54,-44.69,;-11.88,-45.47,;-10.55,-43.14,;-11.89,-42.38,;-13.22,-43.16,;-10.56,-41.62,;-9.22,-42.37,;-7.88,-43.13,;-6.55,-42.36,;-9.23,-40.83,;-7.91,-40.04,;-6.59,-40.8,;-5.27,-40.05,;-3.93,-40.82,;-5.27,-38.52,;-3.93,-37.75,;-6.59,-37.75,;-6.59,-36.21,;-7.91,-38.52,;-9.24,-37.75,;-10.58,-38.52,;-11.9,-37.76,;-11.9,-36.22,;-13.26,-38.54,;-14.58,-37.77,;-13.25,-40.08,;-14.57,-40.86,;-11.88,-40.85,;-10.57,-40.07,;7.82,-42.93,;6.42,-42.3,;6.58,-40.77,;8.09,-40.45,;8.85,-41.79,;10.39,-41.8,;11.17,-40.48,;12.71,-40.49,;10.41,-39.14,;8.86,-39.13,;8.1,-37.79,;14.94,-41.47,;13.54,-40.84,;13.71,-39.31,;15.22,-38.99,;15.98,-40.33,;17.51,-40.34,;18.29,-39.02,;19.83,-39.03,;17.53,-37.68,;15.99,-37.66,;15.23,-36.33,;22.02,-40.03,;20.67,-39.25,;20.67,-37.7,;19.34,-36.93,;22.02,-36.93,;22.02,-35.38,;23.36,-37.69,;23.36,-39.25,;24.7,-40.02,;29.11,-38.58,;27.76,-37.8,;27.76,-36.25,;26.43,-35.48,;29.1,-35.49,;29.1,-33.93,;30.45,-36.24,;30.45,-37.8,;31.79,-38.58,;22.38,-24.41,;18.59,-26.1,;17.81,-24.77,;17.84,-27.43,;18.61,-28.77,;17.86,-30.11,)| Show InChI InChI=1S/C95H124Cl6N17O64P11/c1-46-36-114(93(130)111-84(46)122)65-31-55(119)60(173-65)39-168-189(145,146)166-26-12-24-164-186(139,140)162-22-10-20-160-184(135,136)158-18-8-16-156-183(133,134)157-17-9-19-159-185(137,138)161-21-11-23-163-187(141,142)165-25-13-27-167-190(147,148)179-56-32-66(115-37-47(2)85(123)112-94(115)131)174-62(56)41-170-191(149,150)180-57-33-67(116-38-48(3)86(124)113-95(116)132)175-63(57)42-171-192(151,152)182-59-35-69(118-45-106-77-83(118)108-92(103)110-89(77)127)177-64(59)43-172-193(153,154)181-58-34-68(117-44-105-76-82(117)107-91(102)109-88(76)126)176-61(58)40-169-188(143,144)155-15-7-5-4-6-14-104-87(125)51-30-52(96)71(90(128)129)72(73(51)99)70-49-28-53(97)78(120)74(100)80(49)178-81-50(70)29-54(98)79(121)75(81)101/h28-30,36-38,44-45,55-69,119-120H,4-27,31-35,39-43H2,1-3H3,(H,104,125)(H,128,129)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,111,122,130)(H,112,123,131)(H,113,124,132)(H3,102,107,109,126)(H3,103,108,110,127)/t55-,56-,57-,58-,59-,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase 3'-processing activity expressed in Escherichia coli using 21-mer DNA and Mg2+ after 2 hrs by ...				ACS Med Chem Lett 2: 532-7 (2011) Article DOI: 10.1021/ml200066k BindingDB Entry DOI: 10.7270/Q2Z03C00
					More data for this Ligand-Target Pair