BDBM27577 5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile::Indazole Derivative, 7

SMILES: CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12

InChI Key: InChIKey=SXPOHHRAMKMEHU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 27577   

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 Reverse Transcriptase (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27577 (5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...) Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (docked)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM27577 (5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...) Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Eur J Med Chem 108: 455-65 (2016) BindingDB Entry DOI: 10.7270/Q2G162NX
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1)	BDBM27577 (5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...) Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N) (Human immunodeficiency virus type 1)	BDBM27577 (5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...) Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair