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BDBM2014 2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one::2-indolyl dipyridodiazepinone 7a::5,11-Dihydro-11-ethyl-2-indol-3-yl-5-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one
SMILES: CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccccc12
InChI Key: InChIKey=JKEVDPUWXLGMPH-UHFFFAOYSA-N
Data: 7 IC50
| 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) | BDBM2014 (2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...) | PDB MMDB B.MOAD GoogleScholar AffyNet  | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 28 | 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 40: 2430-3 (1997) Article DOI: 10.1021/jm960837y BindingDB Entry DOI: 10.7270/Q2P26W9K | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1) | BDBM2014 (2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 28 | 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 40: 2430-3 (1997) Article DOI: 10.1021/jm960837y BindingDB Entry DOI: 10.7270/Q2P26W9K | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HIV-1 Reverse Transcriptase Mutant (Y188L) (Human immunodeficiency virus type 1) | BDBM2014 (2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 90 | 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 40: 2430-3 (1997) Article DOI: 10.1021/jm960837y BindingDB Entry DOI: 10.7270/Q2P26W9K | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HIV-1 Reverse Transcriptase Mutant (P236L) (Human immunodeficiency virus type 1) | BDBM2014 (2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 79 | 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 40: 2430-3 (1997) Article DOI: 10.1021/jm960837y BindingDB Entry DOI: 10.7270/Q2P26W9K | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HIV-1 Reverse Transcriptase Mutant (V106A) (Human immunodeficiency virus type 1) | BDBM2014 (2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 49 | 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 40: 2430-3 (1997) Article DOI: 10.1021/jm960837y BindingDB Entry DOI: 10.7270/Q2P26W9K | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HIV-1 Reverse Transcriptase Mutant (G190A) (Human immunodeficiency virus type 1) | BDBM2014 (2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | 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 40: 2430-3 (1997) Article DOI: 10.1021/jm960837y BindingDB Entry DOI: 10.7270/Q2P26W9K | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HIV-1 Reverse Transcriptase Mutant (K103N) (Human immunodeficiency virus type 1) | BDBM2014 (2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 97 | 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 40: 2430-3 (1997) Article DOI: 10.1021/jm960837y BindingDB Entry DOI: 10.7270/Q2P26W9K | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
