BDBM293270 US10106504, Example 7

SMILES: CCOc1ccc(cc1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1C

InChI Key: InChIKey=VBPUJOMLXSYZTF-LJAQVGFWSA-N

Data: 2 EC50

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 = 293270   

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
HIV-1 Protease Chain A (Human immunodeficiency virus type 1)	BDBM293270 (US10106504, Example 7) Show SMILES CCOc1ccc(cc1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1C |r,wD:16.17,(-7.47,-3.26,;-5.93,-3.26,;-5.16,-1.93,;-3.62,-1.93,;-2.85,-.59,;-1.31,-.59,;-.54,-1.93,;-1.31,-3.26,;-2.85,-3.26,;.8,-2.7,;.8,-4.24,;-.54,-5.01,;2.13,-5.01,;3.46,-4.24,;4.8,-5.01,;3.46,-2.7,;4.8,-1.93,;4.8,-.39,;6.13,.38,;7.47,-.39,;6.13,1.92,;7.47,1.15,;6.13,-2.7,;7.47,-1.93,;6.13,-4.24,;2.13,-1.93,;2.13,-.39,;3.46,.38,;3.46,1.92,;4.8,2.69,;2.13,2.69,;2.13,4.24,;.8,5.01,;-.54,4.24,;-.54,2.69,;.8,1.92,;.8,.38,;-.54,-.39,)| Show InChI InChI=1S/C31H36FNO5/c1-8-36-21-13-11-20(12-14-21)25-18(3)33-19(4)26(29(30(34)35)38-31(5,6)7)27(25)23-16-24(32)28-22(17(23)2)10-9-15-37-28/h11-14,16,29H,8-10,15H2,1-7H3,(H,34,35)/t29-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	545	n/a	n/a	7.55	n/a
ViiV HEALTHCARE UK (NO.5) LIMITED US Patent					Assay Description A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. Thi...				US Patent US10106504 (2018) BindingDB Entry DOI: 10.7270/Q2BC41K2
					More data for this Ligand-Target Pair
HIV-1 Protease Chain A (Human immunodeficiency virus type 1)	BDBM293270 (US10106504, Example 7) Show SMILES CCOc1ccc(cc1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1C |r,wD:16.17,(-7.47,-3.26,;-5.93,-3.26,;-5.16,-1.93,;-3.62,-1.93,;-2.85,-.59,;-1.31,-.59,;-.54,-1.93,;-1.31,-3.26,;-2.85,-3.26,;.8,-2.7,;.8,-4.24,;-.54,-5.01,;2.13,-5.01,;3.46,-4.24,;4.8,-5.01,;3.46,-2.7,;4.8,-1.93,;4.8,-.39,;6.13,.38,;7.47,-.39,;6.13,1.92,;7.47,1.15,;6.13,-2.7,;7.47,-1.93,;6.13,-4.24,;2.13,-1.93,;2.13,-.39,;3.46,.38,;3.46,1.92,;4.8,2.69,;2.13,2.69,;2.13,4.24,;.8,5.01,;-.54,4.24,;-.54,2.69,;.8,1.92,;.8,.38,;-.54,-.39,)| Show InChI InChI=1S/C31H36FNO5/c1-8-36-21-13-11-20(12-14-21)25-18(3)33-19(4)26(29(30(34)35)38-31(5,6)7)27(25)23-16-24(32)28-22(17(23)2)10-9-15-37-28/h11-14,16,29H,8-10,15H2,1-7H3,(H,34,35)/t29-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	550	n/a	n/a	7.55	n/a
ViiV HEALTHCARE UK (NO.5) LIMITED US Patent					Assay Description A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. Thi...				US Patent US10106504 (2018) BindingDB Entry DOI: 10.7270/Q2BC41K2
					More data for this Ligand-Target Pair