BDBM294692 US10112899, Example 170

SMILES: Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cc(F)cc(F)c1

InChI Key: InChIKey=LAZMTBQBBJHGRD-PMERELPUSA-N

Data: 1 IC50

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 = 294692   

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
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM294692 (US10112899, Example 170) Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cc(F)cc(F)c1 |r,wD:23.27,(3.62,-2.17,;2.29,-1.4,;.95,-2.17,;.63,-3.68,;-.9,-3.84,;-1.52,-2.43,;-.38,-1.4,;-.38,.14,;-1.71,.91,;.95,.91,;.95,2.45,;2.29,3.22,;2.29,4.76,;3.62,5.53,;.95,5.53,;.95,7.07,;-.38,7.84,;-1.71,7.07,;-1.71,5.53,;-.38,4.76,;-.38,3.22,;-1.71,2.45,;2.29,.14,;3.62,.91,;3.62,2.45,;4.95,3.22,;4.95,4.76,;6.29,2.45,;6.29,3.99,;4.95,.14,;6.29,.91,;4.95,-1.4,;-1.67,-5.17,;-.9,-6.51,;-3.21,-5.17,;-3.98,-3.84,;-5.52,-3.84,;-6.29,-2.5,;-6.29,-5.17,;-5.52,-6.51,;-6.29,-7.84,;-3.98,-6.51,)| Show InChI InChI=1S/C33H34F3NO5/c1-16-22-8-7-9-41-29(22)26(36)13-23(16)27-17(2)24-14-37(31(38)19-10-20(34)12-21(35)11-19)15-25(24)18(3)28(27)30(32(39)40)42-33(4,5)6/h10-13,30H,7-9,14-15H2,1-6H3,(H,39,40)/t30-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
ViiV HEALTHCARE UK LIMITED US Patent					Assay Description Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...				US Patent US10112899 (2018) BindingDB Entry DOI: 10.7270/Q2KP8465
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