BindingDB PrimarySearch

BDBM50371400 MERIOLIN 5

SMILES: CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12

InChI Key: InChIKey=ZHMRPXZRUZLCNL-UHFFFAOYSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50371400
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
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A (RAT)	BDBM50371400 (MERIOLIN 5) Show SMILES CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-DYRK1A expressed in Escherichia coli				J Med Chem 51: 737-51 (2008) Article DOI: 10.1021/jm700940h BindingDB Entry DOI: 10.7270/Q2ZP46ZR
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50371400 (MERIOLIN 5) Show SMILES CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK2/cyclin A expressed in insect cells				J Med Chem 51: 737-51 (2008) Article DOI: 10.1021/jm700940h BindingDB Entry DOI: 10.7270/Q2ZP46ZR
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50371400 (MERIOLIN 5) Show SMILES CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK9/cyclin T expressed in insect cells				J Med Chem 51: 737-51 (2008) Article DOI: 10.1021/jm700940h BindingDB Entry DOI: 10.7270/Q2ZP46ZR
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50371400 (MERIOLIN 5) Show SMILES CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant GST-CDK5/p25 expressed in Escherichia coli				J Med Chem 51: 737-51 (2008) Article DOI: 10.1021/jm700940h BindingDB Entry DOI: 10.7270/Q2ZP46ZR
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50371400 (MERIOLIN 5) Show SMILES CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK2/cyclin A after 30 mins by [gamma-33P]ATP based scintillation counting analysis				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
University of Nebraska Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50371400 (MERIOLIN 5) Show SMILES CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 expressed in baculovirus infected Sf9 insect cells after 30 mins by [gamma-33P]ATP based scintillation count...				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
University of Nebraska Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50371400 (MERIOLIN 5) Show SMILES CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using pRB (773 to 928 residues) as substrate after 3...				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
University of Nebraska Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair