BDBM6746 1,7-Annulated indolocarbazole deriv. 13Bb::7-fluoro-24-(hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.0^{2,17}.0^{3,11}.0^{5,10}.0^{12,16}.0^{22,26}]hexacosa-2(17),3(11),5(10),6,8,12(16),18(26),19,21-nonaene-13,15-dione
SMILES: OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n(C1)c23
InChI Key: InChIKey=CUURVHIMRYQQCQ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM6746 (1,7-Annulated indolocarbazole deriv. 13Bb | 7-fluo...) | 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 | 22 | n/a | n/a | n/a | n/a | 7.0 | 22 |
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 14: 3057-61 (2004) Article DOI: 10.1016/j.bmcl.2004.04.033 BindingDB Entry DOI: 10.7270/Q2KD1W3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine)) | BDBM6746 (1,7-Annulated indolocarbazole deriv. 13Bb | 7-fluo...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
Lilly Research Laboratories | Assay Description In vitro assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P... | Bioorg Med Chem Lett 14: 3057-61 (2004) Article DOI: 10.1016/j.bmcl.2004.04.033 BindingDB Entry DOI: 10.7270/Q2KD1W3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM6746 (1,7-Annulated indolocarbazole deriv. 13Bb | 7-fluo...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a | 25 |
Lilly Research Laboratories | Assay Description In vitro assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P... | Bioorg Med Chem Lett 14: 3057-61 (2004) Article DOI: 10.1016/j.bmcl.2004.04.033 BindingDB Entry DOI: 10.7270/Q2KD1W3H | |||||||||||
More data for this Ligand-Target Pair |