BindingDB PrimarySearch

BDBM50501609 CHEMBL4081497

SMILES: Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCOCC2)n1

InChI Key: InChIKey=UGKFAPJXEKVBHI-UHFFFAOYSA-N

Data: 4 KI 6 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50501609
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 4 (CDK4) (Homo sapiens (Human))	BDBM50501609 (CHEMBL4081497) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK4/cyclin D1 (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
University of South Australia Curated by ChEMBL					More data for this Ligand-Target Pair
CDK6/CycD3 (Homo sapiens (Human))	BDBM50501609 (CHEMBL4081497) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK6/cyclin D3 (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
University of South Australia Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50501609 (CHEMBL4081497) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
University of South Australia Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50501609 (CHEMBL4081497) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
University of South Australia Curated by ChEMBL					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50501609 (CHEMBL4081497) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by patch clamp electrophysiology				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
University of South Australia Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50501609 (CHEMBL4081497) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate in presence of NADPH				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
University of South Australia Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50501609 (CHEMBL4081497) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate in presence of NADPH				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
University of South Australia Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50501609 (CHEMBL4081497) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
University of South Australia Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50501609 (CHEMBL4081497) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPH				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
University of South Australia Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50501609 (CHEMBL4081497) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using ethoxyresorufin as substrate in presence of NADPH				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
University of South Australia Curated by ChEMBL					More data for this Ligand-Target Pair