BDBM17666 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-1H-1,3-benzodiazole::CHEMBL58581::benzimidazole analogue, 2
SMILES: Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F
InChI Key: InChIKey=MDIRLWZOKMHIJZ-UHFFFAOYSA-N
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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) | BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 110 | 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 | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.70E+3 | 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 | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 460 | 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 | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | 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 | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.10E+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 | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.85E+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 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 | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.04E+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 V108I (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 | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.52E+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 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 | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | 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 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 | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.17E+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 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 | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 840 | 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 | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 270 | 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 | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 4.75E+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 | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | 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 K101E (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 | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | 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 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 | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.29E+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 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 |