BDBM6832 3-[3-(4-hydroxypiperidin-1-yl)propyl]-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione::indolocarbazole deriv. 12d
SMILES: COc1ccc2c(c1)n(CCCN1CCC(O)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
InChI Key: InChIKey=IHQAQVKWEYAOFQ-UHFFFAOYSA-N
Data: 6 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM6832 (3-[3-(4-hydroxypiperidin-1-yl)propyl]-6-methoxy-18...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | 25 |
Lilly Research Laboratories | Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP.... | Bioorg Med Chem Lett 13: 2261-7 (2003) Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM6832 (3-[3-(4-hydroxypiperidin-1-yl)propyl]-6-methoxy-18...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | 25 |
Lilly Research Laboratories | Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP.... | Bioorg Med Chem Lett 13: 2261-7 (2003) Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM6832 (3-[3-(4-hydroxypiperidin-1-yl)propyl]-6-methoxy-18...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours Curated by ChEMBL | Assay Description Inhibition of CDK2/Cyclin E (unknown origin) | Eur J Med Chem 108: 701-19 (2016) BindingDB Entry DOI: 10.7270/Q22J6DQD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine)) | BDBM6832 (3-[3-(4-hydroxypiperidin-1-yl)propyl]-6-methoxy-18...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.81E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
Lilly Research Laboratories | Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A... | Bioorg Med Chem Lett 13: 2261-7 (2003) Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CaM Kinase II (Rattus norvegicus (rat)) | BDBM6832 (3-[3-(4-hydroxypiperidin-1-yl)propyl]-6-methoxy-18...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.13E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
Lilly Research Laboratories | Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A... | Bioorg Med Chem Lett 13: 2261-7 (2003) Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM6832 (3-[3-(4-hydroxypiperidin-1-yl)propyl]-6-methoxy-18...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
Lilly Research Laboratories | Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP.... | Bioorg Med Chem Lett 13: 2261-7 (2003) Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW | |||||||||||
More data for this Ligand-Target Pair |