BDBM293327 US10106504, Example 64

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

InChI Key: InChIKey=DEFRTXXSQHIIIU-HKBQPEDESA-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 = 293327   

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)	BDBM293327 (US10106504, Example 64) Show SMILES COc1nccc(n1)N1CCc2cc(ccc2C1)-c1c(N)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r| Show InChI InChI=1S/C35H39N5O5/c1-20-28(31(33(41)42)45-35(2,3)4)29(23-10-11-26-22(18-23)7-6-16-44-26)30(32(36)38-20)24-8-9-25-19-40(15-13-21(25)17-24)27-12-14-37-34(39-27)43-5/h8-12,14,17-18,31H,6-7,13,15-16,19H2,1-5H3,(H2,36,38)(H,41,42)/t31-/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
					More data for this Ligand-Target Pair