BindingDB PrimarySearch

BDBM6644 6‐phenylpteridine‐2,4,7‐triamine (5)::6-phenylpteridine-2,4,7-triamine::Pteridine deriv. 11::TRIAMTERENE

SMILES: Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1

InChI Key: InChIKey=FNYLWPVRPXGIIP-UHFFFAOYSA-N

Data: 1 KI 11 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 6644
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Pteridine reductase 1 (Leishmania major)	BDBM6644 (6‐phenylpteridine‐2,4,7‐triamine...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM6644 (6‐phenylpteridine‐2,4,7‐triamine...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	4.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20863Q9
					More data for this Ligand-Target Pair
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC (Mycobacterium tuberculosis H37Rv)	BDBM6644 (6‐phenylpteridine‐2,4,7‐triamine...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TD9VRT
PCMD Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Hsf1 protein (Mus musculus)	BDBM6644 (6‐phenylpteridine‐2,4,7‐triamine...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.95E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Casein kinase I isoform alpha (Homo sapiens (Human))	BDBM6644 (6‐phenylpteridine‐2,4,7‐triamine...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.68E+4	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
Max Planck Institute of Molecular Physiology					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM6644 (6‐phenylpteridine‐2,4,7‐triamine...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.64E+4	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
Max Planck Institute of Molecular Physiology					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM6644 (6‐phenylpteridine‐2,4,7‐triamine...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM6644 (6‐phenylpteridine‐2,4,7‐triamine...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM6644 (6‐phenylpteridine‐2,4,7‐triamine...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM6644 (6‐phenylpteridine‐2,4,7‐triamine...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM6644 (6‐phenylpteridine‐2,4,7‐triamine...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM6644 (6‐phenylpteridine‐2,4,7‐triamine...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	7.4	30
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4615-27 (2001) Article DOI: 10.1021/jm0103256 BindingDB Entry DOI: 10.7270/Q2736P3Q
Banyu Tsukuba Research Institute					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM6644 (6‐phenylpteridine‐2,4,7‐triamine...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.68E+4	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
Max Planck Institute of Molecular Physiology					More data for this Ligand-Target Pair