SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 289.1
BDBM10841

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

Found 9 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
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM10841 (4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine \| Merid...) Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Clermont Universite£ Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate				J Med Chem 54: 4474-89 (2011) Article DOI: 10.1021/jm200464w BindingDB Entry DOI: 10.7270/Q2ZW1M8P
Clermont Universite£ Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM10841 (4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine \| Merid...) Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Clermont Universite£ Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting				J Med Chem 54: 4474-89 (2011) Article DOI: 10.1021/jm200464w BindingDB Entry DOI: 10.7270/Q2ZW1M8P
Clermont Universite£ Curated by ChEMBL					More data for this Ligand-Target Pair
cGMP-dependent protein kinase 1 (Bos taurus (bovine))	BDBM10841 (4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine \| Merid...) Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	30
CNRS					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30°C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P ...				Bioorg Med Chem Lett 14: 1703-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.050 BindingDB Entry DOI: 10.7270/Q2BZ648W
CNRS					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM10841 (4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine \| Merid...) Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	30
CNRS					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30°C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P ...				Bioorg Med Chem Lett 14: 1703-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.050 BindingDB Entry DOI: 10.7270/Q2BZ648W
CNRS					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM10841 (4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine \| Merid...) Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Clermont Universite£ Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using Histone H1 and [gamma32]-ATP after 30 mins by scintillation counting				J Med Chem 54: 4474-89 (2011) Article DOI: 10.1021/jm200464w BindingDB Entry DOI: 10.7270/Q2ZW1M8P
Clermont Universite£ Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat))	BDBM10841 (4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine \| Merid...) Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	30
CNRS					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30°C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P ...				Bioorg Med Chem Lett 14: 1703-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.050 BindingDB Entry DOI: 10.7270/Q2BZ648W
CNRS					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human))	BDBM10841 (4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine \| Merid...) Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	7.2	30
CNRS					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30°C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P ...				Bioorg Med Chem Lett 14: 1703-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.050 BindingDB Entry DOI: 10.7270/Q2BZ648W
CNRS					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM10841 (4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine \| Merid...) Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12 Show InChI	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	1.30E+4	n/a	n/a	n/a	n/a	7.2	30
CNRS					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30°C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P ...				Bioorg Med Chem Lett 14: 1703-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.050 BindingDB Entry DOI: 10.7270/Q2BZ648W
CNRS					More data for this Ligand-Target Pair
Casein kinase I isoform alpha (Rattus norvegicus (rat))	BDBM10841 (4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine \| Merid...) Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	30
CNRS					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30°C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P ...				Bioorg Med Chem Lett 14: 1703-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.050 BindingDB Entry DOI: 10.7270/Q2BZ648W
CNRS					More data for this Ligand-Target Pair