BindingDB PrimarySearch

BDBM7377 4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol::6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 39::7-n-Butyl-6-(4-hydroxyphenyl)[5H]pyrrolo[2,3-b]pyrazine::CHEMBL75680::aloisine A

SMILES: CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1

InChI Key: InChIKey=PRIGRJPRGZCFAS-UHFFFAOYSA-N

Data: 14 IC50 3 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 7377
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
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	30
Faculte de Medecine et de Pharmacie					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. 32...				J Med Chem 46: 222-36 (2003) Article DOI: 10.1021/jm020319p BindingDB Entry DOI: 10.7270/Q2474820
Faculte de Medecine et de Pharmacie					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of GSK3alpha/beta (unknown origin)				Eur J Med Chem 164: 615-639 (2019)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	30
Faculte de Medecine et de Pharmacie					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. 32...				J Med Chem 46: 222-36 (2003) Article DOI: 10.1021/jm020319p BindingDB Entry DOI: 10.7270/Q2474820
Faculte de Medecine et de Pharmacie					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Activity at human wild type CFTR expressed in CHO cells assessed as forskolin stimulated iodide flux				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Activity at human wild type CFTR expressed in Calu3 cells assessed as forskolin stimulated iodide flux				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of cyclin-dependent kinase 5/p25; range 0.16-0.2				J Med Chem 48: 671-9 (2005) Article DOI: 10.1021/jm049323m BindingDB Entry DOI: 10.7270/Q2MP52S4
European Institute of Oncology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
CNRS USR-3151 Curated by ChEMBL					Assay Description Inhibition of GST-fused recombinant CDK5/p25 expressed in Escherichia coli after 30 mins by scintillation counting				Bioorg Med Chem 17: 5572-82 (2009) Article DOI: 10.1016/j.bmc.2009.06.024 BindingDB Entry DOI: 10.7270/Q22J6BWT
CNRS USR-3151 Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cell division control protein 28 (Saccharomyces cerevisiae)	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS USR-3151 Curated by ChEMBL					Assay Description Inhibition of hemagglutinin-tagged Saccharomyces cerevisiae MNY629 Cdc28/Clb2				Bioorg Med Chem 17: 5572-82 (2009) Article DOI: 10.1016/j.bmc.2009.06.024 BindingDB Entry DOI: 10.7270/Q22J6BWT
CNRS USR-3151 Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	111	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Activity at human wild type CFTR expressed in F508del-CF1 cells assessed as forskolin stimulated iodide flux				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
The Rockefeller University Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclinB				Trends Pharmacol Sci 25: 471-80 (2004) Article DOI: 10.1016/j.tips.2004.07.006 BindingDB Entry DOI: 10.7270/Q2VX0HG5
The Rockefeller University Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin)				Bioorg Med Chem Lett 24: 1532-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.078 BindingDB Entry DOI: 10.7270/Q2S46W05
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	646	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibitory concentration against Glycogen synthase kinase-3				Bioorg Med Chem Lett 15: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2004.10.060 BindingDB Entry DOI: 10.7270/Q2WH2SR0
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclin B (unknown origin)				Eur J Med Chem 164: 615-639 (2019)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of CDK5/p25 (unknown origin)				Eur J Med Chem 164: 615-639 (2019)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen Synthase Kinase-3, beta (Rattus norvegicus (rat))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol \| ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	30
Faculte de Medecine et de Pharmacie					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. 32...				J Med Chem 46: 222-36 (2003) Article DOI: 10.1021/jm020319p BindingDB Entry DOI: 10.7270/Q2474820
Faculte de Medecine et de Pharmacie					More data for this Ligand-Target Pair