BDBM294708 US10112899, Example 186

SMILES: Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1ccc(F)c(F)c1

InChI Key: InChIKey=CVGPPCJGUDWTPI-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 = 294708   

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)	BDBM294708 (US10112899, Example 186) Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1ccc(F)c(F)c1 |r,wD:23.27,(4.39,-2.84,;3.06,-2.07,;1.72,-2.84,;1.4,-4.34,;-.13,-4.51,;-.75,-3.1,;.39,-2.07,;.39,-.53,;-.94,.24,;1.72,.24,;1.72,1.78,;3.06,2.55,;3.06,4.09,;4.39,4.86,;1.72,4.86,;1.72,6.4,;.39,7.17,;-.94,6.4,;-.94,4.86,;.39,4.09,;.39,2.55,;-.94,1.78,;3.06,-.53,;4.39,.24,;4.39,1.78,;5.72,2.55,;5.72,4.09,;7.06,1.78,;7.06,3.32,;5.72,-.53,;7.06,.24,;5.72,-2.07,;-.9,-5.84,;-.13,-7.17,;-2.44,-5.84,;-3.21,-7.17,;-4.75,-7.17,;-5.52,-5.84,;-7.06,-5.84,;-4.75,-4.51,;-5.52,-3.17,;-3.21,-4.51,)| Show InChI InChI=1S/C33H34F3NO5/c1-16-20-8-7-11-41-29(20)26(36)13-21(16)27-17(2)22-14-37(31(38)19-9-10-24(34)25(35)12-19)15-23(22)18(3)28(27)30(32(39)40)42-33(4,5)6/h9-10,12-13,30H,7-8,11,14-15H2,1-6H3,(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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