BDBM50261167 CHEMBL4105016

SMILES: O=C(N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccnc3)ncnc12)c1cccc(n1)-c1ccccc1

InChI Key: InChIKey=TVQIAQPBIDLYOL-OYRHEFFESA-N

Data: 2 IC50

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 2 hits for monomerid = 50261167   

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
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50261167 (CHEMBL4105016) Show SMILES O=C(N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccnc3)ncnc12)c1cccc(n1)-c1ccccc1 |r,wU:5.7,3.2,(29.63,-26.83,;28.12,-26.52,;27.09,-27.66,;25.59,-27.34,;24.29,-28.19,;23.45,-26.89,;24.74,-26.05,;21.95,-26.58,;21.32,-25.17,;19.78,-25.33,;19.46,-26.84,;18.13,-27.61,;16.8,-26.84,;15.47,-27.61,;14.13,-26.84,;12.8,-27.62,;11.47,-26.85,;11.47,-25.31,;12.8,-24.54,;14.13,-25.3,;18.13,-29.15,;19.47,-29.92,;20.81,-29.15,;20.81,-27.61,;27.72,-25.03,;26.23,-24.63,;25.83,-23.15,;26.92,-22.06,;28.41,-22.45,;28.8,-23.94,;29.49,-21.36,;29.09,-19.88,;30.18,-18.79,;31.67,-19.18,;32.06,-20.67,;30.98,-21.76,)| Show InChI InChI=1S/C27H24N8O/c36-27(23-10-4-9-22(34-23)19-7-2-1-3-8-19)33-20-12-21(13-20)35-17-32-24-25(30-16-31-26(24)35)29-15-18-6-5-11-28-14-18/h1-11,14,16-17,20-21H,12-13,15H2,(H,33,36)(H,29,30,31)/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/CyclinA (unknown origin) using ULingt-4E-BP as substrate after 1 hr in presence of ATP by fluorescence assay				Bioorg Med Chem Lett 27: 4399-4404 (2017) Article DOI: 10.1016/j.bmcl.2017.08.018 BindingDB Entry DOI: 10.7270/Q2W66P60
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50261167 (CHEMBL4105016) Show SMILES O=C(N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccnc3)ncnc12)c1cccc(n1)-c1ccccc1 |r,wU:5.7,3.2,(29.63,-26.83,;28.12,-26.52,;27.09,-27.66,;25.59,-27.34,;24.29,-28.19,;23.45,-26.89,;24.74,-26.05,;21.95,-26.58,;21.32,-25.17,;19.78,-25.33,;19.46,-26.84,;18.13,-27.61,;16.8,-26.84,;15.47,-27.61,;14.13,-26.84,;12.8,-27.62,;11.47,-26.85,;11.47,-25.31,;12.8,-24.54,;14.13,-25.3,;18.13,-29.15,;19.47,-29.92,;20.81,-29.15,;20.81,-27.61,;27.72,-25.03,;26.23,-24.63,;25.83,-23.15,;26.92,-22.06,;28.41,-22.45,;28.8,-23.94,;29.49,-21.36,;29.09,-19.88,;30.18,-18.79,;31.67,-19.18,;32.06,-20.67,;30.98,-21.76,)| Show InChI InChI=1S/C27H24N8O/c36-27(23-10-4-9-22(34-23)19-7-2-1-3-8-19)33-20-12-21(13-20)35-17-32-24-25(30-16-31-26(24)35)29-15-18-6-5-11-28-14-18/h1-11,14,16-17,20-21H,12-13,15H2,(H,33,36)(H,29,30,31)/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of CDK5/p35 (unknown origin) using ULingt-4E-BP as substrate after 1 hr in presence of ATP by fluorescence assay				Bioorg Med Chem Lett 27: 4399-4404 (2017) Article DOI: 10.1016/j.bmcl.2017.08.018 BindingDB Entry DOI: 10.7270/Q2W66P60
					More data for this Ligand-Target Pair