BDBM293320 US10106504, Example 57

SMILES: COc1nccc(n1)N1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1

InChI Key: InChIKey=ROEIBTGOUPBTCL-XIFFEERXSA-N

Data: 1 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 1 hit for monomerid = 293320   

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)	BDBM293320 (US10106504, Example 57) Show SMILES COc1nccc(n1)N1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r| Show InChI InChI=1S/C36H40N4O5/c1-21-30(25-9-10-27-20-40(16-14-23(27)18-25)29-13-15-37-35(39-29)43-6)32(26-11-12-28-24(19-26)8-7-17-44-28)31(22(2)38-21)33(34(41)42)45-36(3,4)5/h9-13,15,18-19,33H,7-8,14,16-17,20H2,1-6H3,(H,41,42)/t33-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	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
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