BDBM50494905 CHEMBL3099595

SMILES: Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#CCCCCCCCC(=O)NCc1cn([C@H]2C[C@H](O)[C@@H](COP(O)=O)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=UDDMCWWGJNYNIG-GTXBZULCSA-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 = 50494905   

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
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50494905 (CHEMBL3099595) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(Nc2ccc(cc2)C#N)n1)C#CCCCCCCCC(=O)NCc1cn([C@H]2C[C@H](O)[C@@H](COP(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C39H44N7O9P/c1-25-18-28(19-26(2)36(25)55-34-16-17-41-38(44-34)43-30-14-12-27(21-40)13-15-30)10-8-6-4-3-5-7-9-11-33(48)42-22-29-23-46(39(50)45-37(29)49)35-20-31(47)32(54-35)24-53-56(51)52/h12-19,23,31-32,35,47,56H,3-7,9,11,20,22,24H2,1-2H3,(H,42,48)(H,51,52)(H,41,43,44)(H,45,49,50)/t31-,32+,35+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV-1 6His-tagged reverse transcriptase p66/p51-mediated TTP incorporation into D23/D36 primer/template preincubated for 15 mins follow...				ACS Med Chem Lett 4: 1183-8 (2013) Article DOI: 10.1021/ml4002979 BindingDB Entry DOI: 10.7270/Q2GF0XGW
					More data for this Ligand-Target Pair