BDBM209414 US9266890, I-24

SMILES: CN1c2cnc(Nc3ccc(cc3)C(N)=O)nc2N(C2CCCC2)[C@@H]2CCC[C@@H]2C1=O

InChI Key: InChIKey=VJDBYVPTQWPRPA-ZWKOTPCHSA-N

Data: 1 KI  1 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 209414   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM209414 (US9266890, I-24) Show SMILES CN1c2cnc(Nc3ccc(cc3)C(N)=O)nc2N(C2CCCC2)[C@@H]2CCC[C@@H]2C1=O |r| Show InChI InChI=1S/C23H28N6O2/c1-28-19-13-25-23(26-15-11-9-14(10-12-15)20(24)30)27-21(19)29(16-5-2-3-6-16)18-8-4-7-17(18)22(28)31/h9-13,16-18H,2-8H2,1H3,(H2,24,30)(H,25,26,27)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate by ATP regenerative NADH consuming assay				J Med Chem 61: 7560-7572 (2018) Article DOI: 10.1021/acs.jmedchem.7b01847 BindingDB Entry DOI: 10.7270/Q27H1N40
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM209414 (US9266890, I-24) Show SMILES CN1c2cnc(Nc3ccc(cc3)C(N)=O)nc2N(C2CCCC2)[C@@H]2CCC[C@@H]2C1=O |r| Show InChI InChI=1S/C23H28N6O2/c1-28-19-13-25-23(26-15-11-9-14(10-12-15)20(24)30)27-21(19)29(16-5-2-3-6-16)18-8-4-7-17(18)22(28)31/h9-13,16-18H,2-8H2,1H3,(H2,24,30)(H,25,26,27)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate by ATP regenerative NADH consuming assay				J Med Chem 61: 7560-7572 (2018) Article DOI: 10.1021/acs.jmedchem.7b01847 BindingDB Entry DOI: 10.7270/Q27H1N40
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM209414 (US9266890, I-24) Show SMILES CN1c2cnc(Nc3ccc(cc3)C(N)=O)nc2N(C2CCCC2)[C@@H]2CCC[C@@H]2C1=O |r| Show InChI InChI=1S/C23H28N6O2/c1-28-19-13-25-23(26-15-11-9-14(10-12-15)20(24)30)27-21(19)29(16-5-2-3-6-16)18-8-4-7-17(18)22(28)31/h9-13,16-18H,2-8H2,1H3,(H2,24,30)(H,25,26,27)/t17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5) (Homo sapiens (Human))	BDBM209414 (US9266890, I-24) Show SMILES CN1c2cnc(Nc3ccc(cc3)C(N)=O)nc2N(C2CCCC2)[C@@H]2CCC[C@@H]2C1=O |r| Show InChI InChI=1S/C23H28N6O2/c1-28-19-13-25-23(26-15-11-9-14(10-12-15)20(24)30)27-21(19)29(16-5-2-3-6-16)18-8-4-7-17(18)22(28)31/h9-13,16-18H,2-8H2,1H3,(H2,24,30)(H,25,26,27)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair