BindingDB PrimarySearch

BDBM50169035 1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL364136::[2',5'-bis-O-(tert-butyldimethylsilyl)-b-D-ribofuranosyl]-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide)thymine::[2',5'-bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3'-spiro-5''-(4''-amino-1', 2'-oxathiole-2',2'-dioxide)thymine

SMILES: Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O

InChI Key: InChIKey=YMSLYTIPSGCZRM-DSPLJNTKSA-N

Data: 6 IC50 3 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50169035
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50169035 (1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description The compound was evaluated for inhibition of HIV-1 mutant GluL38-Lys recombinant reverse transcriptase				Bioorg Med Chem Lett 11: 3085-8 (2001) BindingDB Entry DOI: 10.7270/Q2QC02S2
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50169035 (1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh School of Medicine Curated by ChEMBL					Assay Description Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization				J Med Chem 49: 4834-41 (2006) Article DOI: 10.1021/jm0604575 BindingDB Entry DOI: 10.7270/Q2GH9HKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50169035 (1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description The compound was evaluated for inhibition of HIV-1 wild types GluL38-Lys recombinant reverse transcriptase				Bioorg Med Chem Lett 11: 3085-8 (2001) BindingDB Entry DOI: 10.7270/Q2QC02S2
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50169035 (1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description The compound was evaluated for inhibition of HIV-1 wild types GluL38-Lys recombinant reverse transcriptase				Bioorg Med Chem Lett 11: 3085-8 (2001) BindingDB Entry DOI: 10.7270/Q2QC02S2
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50169035 (1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of wild type HIV-1 reverse transcriptase-mediated polymerization reaction after 30 mins				J Med Chem 54: 2727-37 (2011) Article DOI: 10.1021/jm101536x BindingDB Entry DOI: 10.7270/Q2PZ5CPW
Rutgers University Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50169035 (1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (C.S.I.C.) Curated by ChEMBL					Assay Description Effective concentration required to inhibit HIV-1 induced cytopathicity in CEM cell culture by 50%.				J Med Chem 45: 3934-45 (2002) BindingDB Entry DOI: 10.7270/Q2639QXQ
Instituto de Qu£mica M£dica (C.S.I.C.) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50169035 (1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (C.S.I.C.) Curated by ChEMBL					Assay Description Effective concentration required to inhibit HIV-1 induced cytopathicity in MT-4 cell culture by 50%.				J Med Chem 45: 3934-45 (2002) BindingDB Entry DOI: 10.7270/Q2639QXQ
Instituto de Qu£mica M£dica (C.S.I.C.) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse Transcriptase (Human immunodeficiency virus 1)	BDBM50169035 (1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.69E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase E138K mutant-mediated polymerization reaction after 30 mins				J Med Chem 54: 2727-37 (2011) Article DOI: 10.1021/jm101536x BindingDB Entry DOI: 10.7270/Q2PZ5CPW
Rutgers University Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50169035 (1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh School of Medicine Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity				J Med Chem 49: 4834-41 (2006) Article DOI: 10.1021/jm0604575 BindingDB Entry DOI: 10.7270/Q2GH9HKC
					More data for this Ligand-Target Pair				3D Structure (crystal)