BindingDB PrimarySearch

BDBM50528817 CHEMBL4462530::US10717746, Example 14

SMILES: CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1

InChI Key: InChIKey=AVIWDYSJSPOOAR-LSDHHAIUSA-N

Data: 26 IC50 2 Kd 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50528817
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020)
ASTRAZENECA AB US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CDK7 in human MCF7 cells assessed as RNA polymerase2 phosphorylation at serine 5 residue residue incubated for 6 hrs by immunoblot anal...				J Med Chem 63: 13228-13257 (2020)
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126637
Eli Lilly and Company Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Reversible inhibition of CDK9 in human MCF7 cells assessed as reduction in RNA Polymerase 2 CTD phosphorylation at Ser2 residues preincubated for 6 h...				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase I (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	5.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CK1gamma1 (unknown origin) in presence of 5 mM ATP				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	711	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CDK9/CyclinT assessed as dissociation rate constant by surface plasmon resonance analysis				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	0.0894	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CDK9/CyclinT assessed as equilibrium dissociation constant by surface plasmon resonance analysis				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	8.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-TEV tagged CDK12 (696 to 1082 residues)/full length human CyclinK expressed in baculovirus expression ...				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
CDK7/Cyclin H/MNAT1 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CDK7/cyclinH1/MAT1 expressed in insect cells using 5FAM-YSPTSPSYSPTSPSYSPTSPSKKKK-NH2 as substrate preinc...				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	363	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK6 (unknown origin) in presence of 5 mM ATP				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) in presence of 5 mM ATP				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	499	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin) in presence of 5 mM ATP				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
CDK3/Cyclin E (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK3 (unknown origin) in presence of 5 mM ATP				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CDK2/CyclinE expressed in insect cells using FL-Ahx-QSPKKG-CONH2 as substrate preincubated for 10 mins fo...				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length human His-tagged CDK1/CyclinB expressed in baculovirus infected insect cells using 5FAM-RRRFRPASPLRGPPKCOOH as ...				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Casein kinase I (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	6.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CK1gamma2 (unknown origin) in presence of 5 mM ATP				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	8.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of DYRK2 (unknown origin) in presence of 5 mM ATP				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GSK3alpha (unknown origin) in presence of 5 mM ATP				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	247	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) in presence of 5 mM ATP				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of JNK1 (unknown origin) in presence of 5 mM ATP				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-fused CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculo...				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK9 in human MCF7 cells assessed as reduction in RNA Polymerase 2 CTD phosphorylation at Ser2 residues measured after 6 hrs by immunof...				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK9 in human MV4-11 cells assessed as induction of caspase-3/7 activation measured after 6 hrs followed by Caspase-glo reagent based a...				J Med Chem 63: 15564-15590 (2020)
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of full length human CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculovirus expression system in presen...				J Med Chem 63: 13228-13257 (2020)
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of full length human CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculovirus expression system in presen...				J Med Chem 63: 13228-13257 (2020)
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CDK1 in human MCF7 cells assessed as reduction in PP1alpha phosphorylation at T320 residue incubated for 6 hrs by immunoblot analysis				J Med Chem 63: 13228-13257 (2020)
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Protein cereblon/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CDK2 in human MCF7 cells assessed as reduction in Rb phosphorylation at T821 residue incubated for 6 hrs by immunoblot analysis				J Med Chem 63: 13228-13257 (2020)
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
CDK6/Cyclin D3 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CDK4/6 in human MCF7 cells assessed as reduction in Rb phosphorylation at S807/811 residue incubated for 6 hrs by immunoblot analysis				J Med Chem 63: 13228-13257 (2020)
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50528817 (CHEMBL4462530 \| US10717746, Example 14) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020)
ASTRAZENECA AB US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)