SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 414.1
BDBM50459995

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 14 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cyclin-C (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 \| US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK8/Cyclin-C (unknown origin) in presence of [gamma33P]ATP by radiometric method				J Med Chem 61: 5073-5092 (2018) Article DOI: 10.1021/acs.jmedchem.7b00901 BindingDB Entry DOI: 10.7270/Q29W0J3B
University of South Australia Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 \| US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02064 BindingDB Entry DOI: 10.7270/Q2SB49QV
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 \| US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 \| US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of CDK8 (unknown origin)				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
Shaoxing University Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 \| US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of CDK8 (unknown origin)				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
Shaoxing University Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50459995 (CHEMBL4225966 \| US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 \| US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of CDK19 (unknown origin)				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
Shaoxing University Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 \| US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK19/Cyclin-C (unknown origin) in presence of [gamma33P]ATP by radiometric method				J Med Chem 61: 5073-5092 (2018) Article DOI: 10.1021/acs.jmedchem.7b00901 BindingDB Entry DOI: 10.7270/Q29W0J3B
University of South Australia Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 \| US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of CDK19 (unknown origin)				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
Shaoxing University Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 \| US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02064 BindingDB Entry DOI: 10.7270/Q2SB49QV
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 \| US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00820 BindingDB Entry DOI: 10.7270/Q25X2DX9
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 \| US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin) in presence of [gamma33P]ATP by radiometric method				J Med Chem 61: 5073-5092 (2018) Article DOI: 10.1021/acs.jmedchem.7b00901 BindingDB Entry DOI: 10.7270/Q29W0J3B
University of South Australia Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 \| US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00820 BindingDB Entry DOI: 10.7270/Q25X2DX9
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8/19 (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 \| US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
TBA					Assay Description The results presented in Example 3 and in particular the KinomeScan indicate that the activity of DBA-7 in our proliferation assay was due to inhibit...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q3X
TBA					More data for this Ligand-Target Pair