null

SMILES: CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](CC[C@]4(C)C3CC[C@]12C)SC[C@@H]1CCN2CC[C@@H](CSCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)OCc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)OCc3ccccc3)NC2=[NH+]1

InChI Key: InChIKey=RZGMPFSMSVXQNS-CAHUSEDXSA-O

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50135844   

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)	BDBM50135844 ((2S,8S)-2-[({[({[(1S)-1-{[(1S,2R)-2-(benzyloxy)-1-...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](CC[C@]4(C)C3CC[C@]12C)SC[C@@H]1CCN2CC[C@@H](CSCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)OCc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)OCc3ccccc3)NC2=[NH+]1 |c:108,t:14| Show InChI InChI=1S/C80H116N10O10S2/c1-50(2)20-19-21-52(5)63-30-31-64-62-29-28-58-42-61(32-36-79(58,8)65(62)33-37-80(63,64)9)102-48-60-35-39-90-38-34-59(84-78(90)85-60)47-101-49-71(93)82-44-70(92)83-53(6)73(94)89-72(54(7)99-45-56-24-15-11-16-25-56)76(97)87-66(40-51(3)4)74(95)86-67(43-69(81)91)75(96)88-68(41-55-22-13-10-14-23-55)77(98)100-46-57-26-17-12-18-27-57/h10-18,22-28,50-54,59-68,72H,19-21,29-49H2,1-9H3,(H2,81,91)(H,82,93)(H,83,92)(H,84,85)(H,86,95)(H,87,97)(H,88,96)(H,89,94)/p+1/t52-,53+,54-,59+,60+,61-,62?,63-,64?,65?,66+,67+,68+,72+,79+,80-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma de Madrid Curated by ChEMBL					Assay Description Competitive inhibition against HIV-1 Protease				J Med Chem 46: 5196-207 (2003) Article DOI: 10.1021/jm030871u BindingDB Entry DOI: 10.7270/Q2C53MKZ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50135844 ((2S,8S)-2-[({[({[(1S)-1-{[(1S,2R)-2-(benzyloxy)-1-...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](CC[C@]4(C)C3CC[C@]12C)SC[C@@H]1CCN2CC[C@@H](CSCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)OCc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)OCc3ccccc3)NC2=[NH+]1 |c:108,t:14| Show InChI InChI=1S/C80H116N10O10S2/c1-50(2)20-19-21-52(5)63-30-31-64-62-29-28-58-42-61(32-36-79(58,8)65(62)33-37-80(63,64)9)102-48-60-35-39-90-38-34-59(84-78(90)85-60)47-101-49-71(93)82-44-70(92)83-53(6)73(94)89-72(54(7)99-45-56-24-15-11-16-25-56)76(97)87-66(40-51(3)4)74(95)86-67(43-69(81)91)75(96)88-68(41-55-22-13-10-14-23-55)77(98)100-46-57-26-17-12-18-27-57/h10-18,22-28,50-54,59-68,72H,19-21,29-49H2,1-9H3,(H2,81,91)(H,82,93)(H,83,92)(H,84,85)(H,86,95)(H,87,97)(H,88,96)(H,89,94)/p+1/t52-,53+,54-,59+,60+,61-,62?,63-,64?,65?,66+,67+,68+,72+,79+,80-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma de Madrid Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV-1 Protease				J Med Chem 46: 5196-207 (2003) Article DOI: 10.1021/jm030871u BindingDB Entry DOI: 10.7270/Q2C53MKZ
					More data for this Ligand-Target Pair