null

SMILES: OC(=O)CCC(=O)NCCc1ccc(cc1)C1(c2ccc(CCNC(=O)CCC(O)=O)cc2)C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C137

InChI Key: InChIKey=NVZZTYQRTUUJAB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50369361   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50369361 (CHEMBL1160519) Show SMILES OC(=O)CCC(=O)NCCc1ccc(cc1)C1(c2ccc(CCNC(=O)CCC(O)=O)cc2)C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C137 |(21.81,4.96,;20.28,4.97,;19.56,6.31,;19.47,3.68,;17.96,3.71,;17.15,2.41,;17.86,1.09,;15.62,2.43,;14.8,1.14,;15.52,-.17,;14.73,-1.47,;15.44,-2.79,;14.66,-4.12,;13.13,-4.09,;12.39,-2.74,;13.2,-1.45,;12.33,-5.4,;10.83,-3.35,;9.51,-4.14,;8.18,-3.42,;8.18,-1.91,;6.86,-1.19,;5.54,-1.98,;4.23,-1.28,;2.91,-2.05,;2.93,-3.56,;1.61,-1.35,;.26,-2.14,;-1.06,-1.42,;-2.62,-2.21,;-1.06,.06,;9.51,-1.12,;10.82,-1.86,;12.74,-7.16,;14.7,-6.84,;16.12,-7.39,;15.73,-8.36,;13.92,-8.81,;13.53,-10.58,;11.9,-11.22,;11.15,-9.87,;10.4,-10.39,;10.78,-9.43,;11.91,-7.9,;13.27,-7.73,;14.92,-7.11,;16.61,-7.72,;18.03,-8.14,;17.82,-7.88,;18.61,-9.16,;17.15,-9.55,;16.75,-11.34,;14.97,-11.8,;14.82,-13.8,;13.01,-14.5,;11.64,-13.08,;10.94,-13.56,;10.25,-12.22,;10.53,-12.41,;10.85,-10.67,;12.15,-10.44,;13.34,-8.99,;15.01,-9.58,;16.64,-8.95,;18.09,-10.13,;18.95,-9.62,;19.7,-10.97,;19.63,-10.83,;19.03,-12.64,;17.67,-12.85,;16.52,-14.38,;16.54,-15.56,;14.92,-16.2,;13.22,-15.69,;11.85,-15.1,;12.12,-15.27,;11.46,-13.94,;12.71,-13.7,;13.06,-11.96,;14.84,-11.43,;16.29,-12.64,;17.89,-12.01,;18.54,-13.34,;19.4,-12.83,;19.01,-13.82,;17.79,-15.29,;16.96,-15.79,;15.2,-16.34,;13.76,-15.89,;14.14,-14.92,;15.94,-14.38,;17.35,-14.8,;12.32,-8.22,)| Show InChI InChI=1S/C85H28N2O6/c88-21(9-11-23(90)91)86-15-13-17-1-5-19(6-2-17)83(20-7-3-18(4-8-20)14-16-87-22(89)10-12-24(92)93)84-79-71-63-53-43-35-27-25-26-29-33-31(27)39-47-41(33)51-45-37(29)38-30(26)34-32-28(25)36(35)44-50-40(32)48-42(34)52-46(38)56-55(45)65-59(51)69-61(47)67(57(63)49(39)43)75(79)77(69)81-73(65)74-66(56)60(52)70-62(48)68-58(50)64(54(44)53)72(71)80(84)76(68)78(70)82(74)85(81,83)84/h1-8H,9-16H2,(H,86,88)(H,87,89)(H,90,91)(H,92,93)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity towards HIV-1 Protease				J Med Chem 41: 2424-9 (1998) Article DOI: 10.1021/jm970689r BindingDB Entry DOI: 10.7270/Q2DV1KJJ
					More data for this Ligand-Target Pair