BDBM294739 (S)-2-(tert-butoxy)-2-((M)-2-(4,4-difluoropiperidine-1-carbon yl)-6-(8-fluoro-5-methylchroman-6-yl)-4,7-dimethylisoindolin-5-yl)acetic acid::US10112899, Example 213

SMILES: Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)N1CCC(F)(F)CC1

InChI Key: InChIKey=ULAQGFBUCXWAKT-NDEPHWFRSA-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 = 294739   

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)	BDBM294739 ((S)-2-(tert-butoxy)-2-((M)-2-(4,4-difluoropiperidi...) Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)N1CCC(F)(F)CC1 |r,wD:23.27,(4.29,-2.84,;2.95,-2.07,;1.62,-2.84,;1.3,-4.34,;-.23,-4.51,;-.86,-3.1,;.29,-2.07,;.29,-.53,;-1.05,.24,;1.62,.24,;1.62,1.78,;2.95,2.55,;2.95,4.09,;4.29,4.86,;1.62,4.86,;1.62,6.4,;.29,7.17,;-1.05,6.4,;-1.05,4.86,;.29,4.09,;.29,2.55,;-1.05,1.78,;2.95,-.53,;4.29,.24,;4.29,1.78,;5.62,2.55,;6.96,3.32,;5.62,4.09,;6.96,1.78,;5.62,-.53,;6.96,.24,;5.62,-2.07,;-1,-5.84,;-.23,-7.17,;-2.54,-5.84,;-3.31,-4.51,;-4.85,-4.51,;-5.62,-5.84,;-6.96,-6.61,;-6.96,-5.07,;-4.85,-7.17,;-3.31,-7.17,)| Show InChI InChI=1S/C32H39F3N2O5/c1-17-20-8-7-13-41-27(20)24(33)14-21(17)25-18(2)22-15-37(30(40)36-11-9-32(34,35)10-12-36)16-23(22)19(3)26(25)28(29(38)39)42-31(4,5)6/h14,28H,7-13,15-16H2,1-6H3,(H,38,39)/t28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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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