BDBM50249557 2,2'-(2-(pyridin-4-yl)dihydropyrimidine-1,3(2H,4H)-diyl)bis(methylene)bis(N,N-dimethylaniline)::2-((3-(2-(dimethylamino)benzyl)-2-(pyridin-4-yl)-tetrahydropyrimidin-1(2H)-yl)methyl)-N,N-dimethylbenzenamine::CHEMBL471728
SMILES: CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1
InChI Key: InChIKey=KVQOGDQTWWCZFX-UHFFFAOYSA-N
Data: 3 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 |
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Sonic hedgehog protein (Mus musculus (Mouse)) | BDBM50249557 (2,2'-(2-(pyridin-4-yl)dihydropyrimidine-1,3(2H,4H)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital Curated by ChEMBL | Assay Description Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assay | J Med Chem 52: 3829-45 (2009) Article DOI: 10.1021/jm801420y BindingDB Entry DOI: 10.7270/Q22N536M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Zinc finger protein GLI1/GLI2 (Mus musculus) | BDBM50249557 (2,2'-(2-(pyridin-4-yl)dihydropyrimidine-1,3(2H,4H)...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Inhibition of GLI1/GLI2 in mouse Shh Light2 cells assessed as reduction in endogenous hedgehog signalling in presence of Smo agonist SAG by luciferas... | J Med Chem 62: 8392-8411 (2019) Article DOI: 10.1021/acs.jmedchem.9b00188 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Zinc finger protein GLI1 (Homo sapiens (Human)) | BDBM50249557 (2,2'-(2-(pyridin-4-yl)dihydropyrimidine-1,3(2H,4H)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital Curated by ChEMBL | Assay Description Inhibition of human Gli1-mediated transcriptional activity in human Rh30 cells after 24 hrs by luciferase reporter gene assay | Bioorg Med Chem 18: 4801-11 (2011) Article DOI: 10.1016/j.bmc.2010.05.001 BindingDB Entry DOI: 10.7270/Q23R0TTT | |||||||||||
More data for this Ligand-Target Pair |