null

SMILES: CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1ccc(cc1)C#N

InChI Key: InChIKey=KLBYEVXRLYVRSJ-XVODIUIHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 461088   

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
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM461088 (US10774053, Compound 281) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C37H34ClF5N8O3/c1-34(2,3)19-36(25-11-8-23(9-12-25)22-6-4-21(17-44)5-7-22)31(52)50(32(45)48-36)28(18-54-33(53)49-35(14-15-35)37(41,42)43)24-10-13-26(38)27(16-24)51-30(29(39)40)46-20-47-51/h4-13,16,20,28-29H,14-15,18-19H2,1-3H3,(H2,45,48)(H,49,53)/t28-,36-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in a high-throughput 384-well assay format for their ability to inhibit the replication of HIV-1 (IIIB) in MT-4 cells. Compound...				US Patent US10774053 (2020)
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (HIV-1)	US11352329, COMPD # 281 (US10774053, Compound 281) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C37H34ClF5N8O3/c1-34(2,3)19-36(25-11-8-23(9-12-25)22-6-4-21(17-44)5-7-22)31(52)50(32(45)48-36)28(18-54-33(53)49-35(14-15-35)37(41,42)43)24-10-13-26(38)27(16-24)51-30(29(39)40)46-20-47-51/h4-13,16,20,28-29H,14-15,18-19H2,1-3H3,(H2,45,48)(H,49,53)/t28-,36-/m1/s1	MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM461088 (US10774053, Compound 281) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C37H34ClF5N8O3/c1-34(2,3)19-36(25-11-8-23(9-12-25)22-6-4-21(17-44)5-7-22)31(52)50(32(45)48-36)28(18-54-33(53)49-35(14-15-35)37(41,42)43)24-10-13-26(38)27(16-24)51-30(29(39)40)46-20-47-51/h4-13,16,20,28-29H,14-15,18-19H2,1-3H3,(H2,45,48)(H,49,53)/t28-,36-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	22.2	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...				US Patent US10774053 (2020)
					More data for this Ligand-Target Pair