BindingDB PrimarySearch

null

SMILES: CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1

InChI Key: InChIKey=UZWDCWONPYILKI-UHFFFAOYSA-N

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 122 hits for monomerid = 50110183
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/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MRV
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4/6 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MRV
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MRV
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4/6 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MRV
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	308	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MRV
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MRV
TBA					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MRV
TBA					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MRV
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	3.41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were respectively dissolved in ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	306	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	3.41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were respectively dissolved in ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	306	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1PTP
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	1.02	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2ZP4B70
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	1.22	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2ZP4B70
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars		n/a	n/a	14.7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2ZP4B70
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00063 BindingDB Entry DOI: 10.7270/Q2NG4VR2
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.112904 BindingDB Entry DOI: 10.7270/Q2XP791Q
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib \| LY-2835219 \| US10626107, Example LY2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.112904 BindingDB Entry DOI: 10.7270/Q2XP791Q
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)

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