Search and Browse
Download
Enter Data
BDBM32283 2-[[2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester::2-[[[2-amino-1-(3-methoxypropyl)-3-pyrrolo[3,2-b]quinoxalinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester::2-{[2-Amino-1-(3-methoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-b enzo[b]thiophene-3-carboxylic acid methyl ester::MLS000595323::SMR000149846::cid_1930463::methyl 2-[[2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate::methyl 2-[[2-azanyl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxalin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SMILES: COCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
InChI Key: InChIKey=JMSZNBMXPZPQEY-UHFFFAOYSA-N
Data: 6 EC50
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Isoform Bcl-X(L) (Homo sapiens (Human)) | BDBM32283 (2-[[2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quino...) | PDB MMDB B.MOAD GoogleScholar AffyNet  | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.32E+3 | n/a | n/a | 7.4 | 4 |
NMMLSC Curated by PubChem BioAssay | Assay Description The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K935WV | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| glutathione S-transferase (Homo sapiens (Human)) | BDBM32283 (2-[[2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quino...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 2.55E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M61HPT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM32283 (2-[[2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quino...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.12E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2697202 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| BCL-W (Homo sapiens (Human)) | BDBM32283 (2-[[2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quino...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 2.34E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2BR8QM3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Apoptosis regulator Bcl-2 (Homo sapiens (Human)) | BDBM32283 (2-[[2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quino...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2B27SQ0 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Apoptosis regulator Bcl-B (Bcl-2-like 10 protein) (Bcl2-L-10) (Anti-apoptotic protein NrH). (Homo sapiens (Human)) | BDBM32283 (2-[[2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quino...) | PDB KEGG B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.39E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GH9GBT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
