BDBM17665 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-methyl-1H-1,3-benzodiazole::CHEMBL293961::benzimidazole analogue, 1
SMILES: Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F
InChI Key: InChIKey=JIYRSPUMGRIYBL-UHFFFAOYSA-N
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 |
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HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | 8.0 | 37 |
NCI-FCRDC | Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. | J Med Chem 50: 4003-4015 (2007) Article DOI: 10.1021/jm060103d BindingDB Entry DOI: 10.7270/Q25M6409 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 440 | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick Curated by ChEMBL | Assay Description Inhibition of HIV-1 reverse transcriptase. | J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL | Assay Description Cross Resistance (antiviral activity) of the compound with Y188C (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi... | J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL | Assay Description The quantity of compound required to reduce WT Reverse transcriptase activity by 50% | J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL | Assay Description Cross Resistance (antiviral activity) of the compound with L100I (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi... | J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL | Assay Description Cross Resistance (antiviral activity) of the compound with L74V (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic... | J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL | Assay Description Cross Resistance (antiviral activity) of the compound with V106A (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi... | J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL | Assay Description Cross Resistance (antiviral activity) of the compound with V108I (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate v | J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 1.67E+4 | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL | Assay Description Cross Resistance(antiviral activity) of the compound with K101E (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic... | J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL | Assay Description Cross Resistance (antiviral activity) of the compound with K103N (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi... | J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL | Assay Description Cross Resistance (antiviral activity) of the compound with 4xAZT/Y181C (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cyt... | J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL | Assay Description Cross Resistance (antiviral activity) of the compound with V179D (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi... | J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL | Assay Description Cross Resistance (antiviral activity) of the compound with 4xAZT (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi... | J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL | Assay Description Cross Resistance (antiviral activity) of the compound with Y181C (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi... | J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL | Assay Description Cross Resistance (antiviral activity) of the compound with NL4-3(WT) NNRTI (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from... | J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL | Assay Description Cross Resistance (antiviral activity) of the compound with 4xAZT/L100I (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cyt... | J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a |
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL | Assay Description Cross Resistance (antiviral activity) of the compound with A98G (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic... | J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |