BindingDB PrimarySearch

BDBM2021 2,8-Disubstituted Dipyridodiazepinone 37::2,8-Substituted Dipyridodiazepinone 37::2,8-disubstituted dipyridodiazepinone II::5-chloro-2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

SMILES: CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12

InChI Key: InChIKey=JISVFSBNJCUDHU-UHFFFAOYSA-N

Data: 11 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 2021
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
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM2021 (2,8-Disubstituted Dipyridodiazepinone 37 \| 2,8-Sub...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.8	22
Boehringer Ingelheim Pharmaceuticals Inc.					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 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1)	BDBM2021 (2,8-Disubstituted Dipyridodiazepinone 37 \| 2,8-Sub...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.8	22
Boehringer Ingelheim Pharmaceuticals Inc.					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 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y188L) (Human immunodeficiency virus type 1)	BDBM2021 (2,8-Disubstituted Dipyridodiazepinone 37 \| 2,8-Sub...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	7.8	22
Boehringer Ingelheim Pharmaceuticals Inc.					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 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM2021 (2,8-Disubstituted Dipyridodiazepinone 37 \| 2,8-Sub...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					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 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1)	BDBM2021 (2,8-Disubstituted Dipyridodiazepinone 37 \| 2,8-Sub...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					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 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM2021 (2,8-Disubstituted Dipyridodiazepinone 37 \| 2,8-Sub...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N) (Human immunodeficiency virus type 1)	BDBM2021 (2,8-Disubstituted Dipyridodiazepinone 37 \| 2,8-Sub...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					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 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (V106A) (Human immunodeficiency virus type 1)	BDBM2021 (2,8-Disubstituted Dipyridodiazepinone 37 \| 2,8-Sub...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					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 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (G190A) (Human immunodeficiency virus type 1)	BDBM2021 (2,8-Disubstituted Dipyridodiazepinone 37 \| 2,8-Sub...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					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 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (P236L) (Human immunodeficiency virus type 1)	BDBM2021 (2,8-Disubstituted Dipyridodiazepinone 37 \| 2,8-Sub...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					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 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y188L) (Human immunodeficiency virus type 1)	BDBM2021 (2,8-Disubstituted Dipyridodiazepinone 37 \| 2,8-Sub...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					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 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair