BDBM6860 6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione::Indolocarbazole deriv. 4(d)
SMILES: Brc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
InChI Key: InChIKey=NMFKDDRQSNVETB-UHFFFAOYSA-N
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)) | BDBM6860 (6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 76 | n/a | n/a | n/a | n/a | 7.0 | 22 |
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... | J Med Chem 46: 2027-30 (2003) Article DOI: 10.1021/jm0256169 BindingDB Entry DOI: 10.7270/Q2668BCN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM6860 (6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 185 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL | Assay Description Inhibition of GST-tagged CDK2/cyclin A2 (unknown origin) expressed in Escherichia coli using histone H1 as substrate in presence of [gamma-33P]-ATP b... | J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CaM Kinase II (Rattus norvegicus (rat)) | BDBM6860 (6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.24E+4 | n/a | 70 | 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... | J Med Chem 46: 2027-30 (2003) Article DOI: 10.1021/jm0256169 BindingDB Entry DOI: 10.7270/Q2668BCN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human)) | BDBM6860 (6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem 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 kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A... | J Med Chem 46: 2027-30 (2003) Article DOI: 10.1021/jm0256169 BindingDB Entry DOI: 10.7270/Q2668BCN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine)) | BDBM6860 (6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | 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... | J Med Chem 46: 2027-30 (2003) Article DOI: 10.1021/jm0256169 BindingDB Entry DOI: 10.7270/Q2668BCN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interferon-induced, double-stranded RNA-activated protein kinase (Homo sapiens (Human)) | BDBM6860 (6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medical College Curated by ChEMBL | Assay Description Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay | Bioorg Med Chem Lett 21: 4108-14 (2011) Article DOI: 10.1016/j.bmcl.2011.04.149 BindingDB Entry DOI: 10.7270/Q2KK9C4H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM6860 (6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai Curated by ChEMBL | Assay Description Inhibition of CDK2/cyclinE (unknown origin) | J Med Chem 57: 578-99 (2014) Article DOI: 10.1021/jm401073p BindingDB Entry DOI: 10.7270/Q28W3FSW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM6860 (6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai Curated by ChEMBL | Assay Description Inhibition of CDK4/cyclinD1 (unknown origin) | J Med Chem 57: 578-99 (2014) Article DOI: 10.1021/jm401073p BindingDB Entry DOI: 10.7270/Q28W3FSW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human)) | BDBM6860 (6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai Curated by ChEMBL | Assay Description Inhibition of CDK1/cyclinB (unknown origin) | J Med Chem 57: 578-99 (2014) Article DOI: 10.1021/jm401073p BindingDB Entry DOI: 10.7270/Q28W3FSW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM6860 (6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 229 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL | Assay Description Inhibition of His-tagged CDK2/cyclin E (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [gam... | J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM6860 (6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL | Assay Description Inhibition of GST-tagged CDK4/cyclin D1 (unknown origin) expressed in Baculovirus infected Sf9 cells using RPPTLSPIPHIPR peptide as substrate in pres... | J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human)) | BDBM6860 (6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL | Assay Description Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate as substrate in presence... | J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK7/Cyclin H/MNAT1 (Homo sapiens (Human)) | BDBM6860 (6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL | Assay Description Inhibition of GST-tagged CDK7/cyclinH/MAT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as su... | J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human)) | BDBM6860 (6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL | Assay Description Inhibition of GST-tagged CDK9/CyclinT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as substr... | J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human)) | BDBM6860 (6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL | Assay Description Inhibition of His-tagged CDK1/cyclin B1 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [ga... | J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM6860 (6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 520 | n/a | n/a | n/a | n/a | 7.0 | 22 |
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... | J Med Chem 46: 2027-30 (2003) Article DOI: 10.1021/jm0256169 BindingDB Entry DOI: 10.7270/Q2668BCN | |||||||||||
More data for this Ligand-Target Pair |