BDBM26514 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide::BI 2536 analogue, 1b
SMILES: CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O
InChI Key: InChIKey=MOIBHLHUAXJLCW-JOCHJYFZSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM26514 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay | ACS Med Chem Lett 6: 764-9 (2015) BindingDB Entry DOI: 10.7270/Q2FF3V4D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human)) | BDBM26514 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) | PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11.5 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer | Assay Description Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ... | Chem Biol Drug Des 70: 540-6 (2007) Article DOI: 10.1111/j.1747-0285.2007.00594.x BindingDB Entry DOI: 10.7270/Q2T151Z8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM26514 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute Curated by ChEMBL | Assay Description Displacement of Bio-JQ1 from recombinant human His6 tagged BRD4 bromodomain 1 by alphascreen assay | ACS Med Chem Lett 10: 1443-1449 (2019) Article DOI: 10.1021/acsmedchemlett.9b00243 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human)) | BDBM26514 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute Curated by ChEMBL | Assay Description Displacement of biotinylated probe from human TAF1 bromodomain 2 (1522 to 1656 residues) expressed in Escherichia coli BL21 (DE3) by alphascreen assa... | ACS Med Chem Lett 10: 1443-1449 (2019) Article DOI: 10.1021/acsmedchemlett.9b00243 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human)) | BDBM26514 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer | Assay Description Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ... | Chem Biol Drug Des 70: 540-6 (2007) Article DOI: 10.1111/j.1747-0285.2007.00594.x BindingDB Entry DOI: 10.7270/Q2T151Z8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Polo-Like Kinase 3 (Homo sapiens (Human)) | BDBM26514 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) | PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer | Assay Description Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ... | Chem Biol Drug Des 70: 540-6 (2007) Article DOI: 10.1111/j.1747-0285.2007.00594.x BindingDB Entry DOI: 10.7270/Q2T151Z8 | |||||||||||
More data for this Ligand-Target Pair |