BDBM50307943 4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine::CHEMBL597211::US8796293, 56
SMILES: CC(C)(C)c1ccc(CC2(N)CCN(CC2)c2ncnc3[nH]ccc23)cc1
InChI Key: InChIKey=SNNUMARRAFQOGY-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rho-associated protein kinase 2 (Homo sapiens (Human)) | BDBM50307943 (4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimid...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Astex Therapeutics Limited; The Institute of Cancer Research: Royal Cancer Hospital; Cancer Research Technology Limited US Patent | Assay Description In a final reaction volume of 25 ul, ROCK-II (h) (5-10 mU) is incubated with 50 mM Tris pH 7.5, 0.1 mM EGTA, 30 uM KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK (... | US Patent US8796293 (2014) BindingDB Entry DOI: 10.7270/Q21C1VJM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50307943 (4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimid...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human microsomal preparation | J Med Chem 53: 2239-49 (2010) Article DOI: 10.1021/jm901788j BindingDB Entry DOI: 10.7270/Q23B608V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50307943 (4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimid...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human microsomal preparation | J Med Chem 53: 2239-49 (2010) Article DOI: 10.1021/jm901788j BindingDB Entry DOI: 10.7270/Q23B608V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase AKT2 (Homo sapiens (Human)) | BDBM50307943 (4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimid...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of PKBbeta by radiometric filter binding assay | J Med Chem 53: 2239-49 (2010) Article DOI: 10.1021/jm901788j BindingDB Entry DOI: 10.7270/Q23B608V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50307943 (4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human microsomal preparation | J Med Chem 53: 2239-49 (2010) Article DOI: 10.1021/jm901788j BindingDB Entry DOI: 10.7270/Q23B608V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50307943 (4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human microsomal preparation | J Med Chem 53: 2239-49 (2010) Article DOI: 10.1021/jm901788j BindingDB Entry DOI: 10.7270/Q23B608V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50307943 (4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human microsomal preparation | J Med Chem 53: 2239-49 (2010) Article DOI: 10.1021/jm901788j BindingDB Entry DOI: 10.7270/Q23B608V | |||||||||||
More data for this Ligand-Target Pair |