BDBM191572 6-(3-chlorophenyl)pteridine-2,4,7-triamine (15)::Epiblastin A

SMILES: Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(Cl)c1

InChI Key: InChIKey=ZWNKKZSRANLVEW-UHFFFAOYSA-N

Data: 8 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 191572   

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
Casein kinase I isoform alpha (Homo sapiens (Human))	BDBM191572 (6-(3-chlorophenyl)pteridine-2,4,7-triamine (15) | ...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C12H10ClN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology					Assay Description Single-point measurements analyses and subsequent dose-dependent investigations of selected pteridine derivatives for inhibition of CK1α were pe...				Cell Chem Biol 23: 494-507 (2016) Article DOI: 10.1016/j.chembiol.2016.02.015 BindingDB Entry DOI: 10.7270/Q2GQ6WJD
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM191572 (6-(3-chlorophenyl)pteridine-2,4,7-triamine (15) | ...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C12H10ClN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	7.5	n/a
Max Planck Institute of Molecular Physiology					Assay Description A stock solution of 5 % DMSO (BioReagent for molecular biology, Sigma Aldrich) in water was prepared. The CK1 substrate peptide RRKDLHDDEEDEAMSITA (J...				Cell Chem Biol 23: 494-507 (2016) Article DOI: 10.1016/j.chembiol.2016.02.015 BindingDB Entry DOI: 10.7270/Q2GQ6WJD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM191572 (6-(3-chlorophenyl)pteridine-2,4,7-triamine (15) | ...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C12H10ClN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	7.5	n/a
Max Planck Institute of Molecular Physiology					Assay Description A stock solution of 5 % DMSO (BioReagent for molecular biology, Sigma Aldrich) in water was prepared. The CK1 substrate peptide RRKDLHDDEEDEAMSITA (J...				Cell Chem Biol 23: 494-507 (2016) Article DOI: 10.1016/j.chembiol.2016.02.015 BindingDB Entry DOI: 10.7270/Q2GQ6WJD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase RIPK2 (Homo sapiens (Human))	BDBM191572 (6-(3-chlorophenyl)pteridine-2,4,7-triamine (15) | ...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C12H10ClN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology					Assay Description Single-point measurement analyses of Epiblastin A against a panel of 123 kinases was performed at Eurofins (former Milipore) using a radiometric-base...				Cell Chem Biol 23: 494-507 (2016) Article DOI: 10.1016/j.chembiol.2016.02.015 BindingDB Entry DOI: 10.7270/Q2GQ6WJD
					More data for this Ligand-Target Pair
Eukaryotic elongation factor 2 kinase (Homo sapiens (Human))	BDBM191572 (6-(3-chlorophenyl)pteridine-2,4,7-triamine (15) | ...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C12H10ClN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology					Assay Description Single-point measurement analyses of Epiblastin A against a panel of 123 kinases was performed at Eurofins (former Milipore) using a radiometric-base...				Cell Chem Biol 23: 494-507 (2016) Article DOI: 10.1016/j.chembiol.2016.02.015 BindingDB Entry DOI: 10.7270/Q2GQ6WJD
					More data for this Ligand-Target Pair
EGFR (Homo sapiens (Human))	BDBM191572 (6-(3-chlorophenyl)pteridine-2,4,7-triamine (15) | ...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C12H10ClN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology					Assay Description Single-point measurement analyses of Epiblastin A against a panel of 123 kinases was performed at Eurofins (former Milipore) using a radiometric-base...				Cell Chem Biol 23: 494-507 (2016) Article DOI: 10.1016/j.chembiol.2016.02.015 BindingDB Entry DOI: 10.7270/Q2GQ6WJD
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM191572 (6-(3-chlorophenyl)pteridine-2,4,7-triamine (15) | ...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C12H10ClN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology					Assay Description Single-point measurement analyses of Epiblastin A against a panel of 123 kinases was performed at Eurofins (former Milipore) using a radiometric-base...				Cell Chem Biol 23: 494-507 (2016) Article DOI: 10.1016/j.chembiol.2016.02.015 BindingDB Entry DOI: 10.7270/Q2GQ6WJD
					More data for this Ligand-Target Pair
BR serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM191572 (6-(3-chlorophenyl)pteridine-2,4,7-triamine (15) | ...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C12H10ClN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology					Assay Description Single-point measurement analyses of Epiblastin A against a panel of 123 kinases was performed at Eurofins (former Milipore) using a radiometric-base...				Cell Chem Biol 23: 494-507 (2016) Article DOI: 10.1016/j.chembiol.2016.02.015 BindingDB Entry DOI: 10.7270/Q2GQ6WJD
					More data for this Ligand-Target Pair