BDBM50261204 CHEMBL4098255

SMILES: Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3ccc(F)c(F)c3)ncnc12

InChI Key: InChIKey=ORKSQVXJLGIROJ-IYBDPMFKSA-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 = 50261204   

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))	BDBM50261204 (CHEMBL4098255) Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3ccc(F)c(F)c3)ncnc12 |r,wU:12.15,10.10,(29.23,-17.32,;28.14,-18.41,;26.65,-18.01,;25.57,-19.1,;25.97,-20.59,;27.45,-20.98,;28.54,-19.89,;27.85,-22.47,;29.36,-22.79,;26.82,-23.62,;25.31,-23.3,;24.02,-24.13,;23.19,-22.84,;24.48,-22.01,;21.68,-22.52,;21.05,-21.11,;19.52,-21.28,;19.2,-22.78,;17.87,-23.56,;16.53,-22.78,;15.2,-23.56,;13.87,-22.78,;13.87,-21.24,;12.54,-20.48,;11.2,-21.24,;9.86,-20.48,;11.2,-22.78,;9.86,-23.56,;12.54,-23.56,;17.87,-25.09,;19.2,-25.86,;20.53,-25.09,;20.53,-23.56,)| Show InChI InChI=1S/C23H21F2N7O/c1-13-3-2-4-19(30-13)23(33)31-15-8-16(9-15)32-12-29-20-21(27-11-28-22(20)32)26-10-14-5-6-17(24)18(25)7-14/h2-7,11-12,15-16H,8-10H2,1H3,(H,31,33)(H,26,27,28)/t15-,16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	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))	BDBM50261204 (CHEMBL4098255) Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3ccc(F)c(F)c3)ncnc12 |r,wU:12.15,10.10,(29.23,-17.32,;28.14,-18.41,;26.65,-18.01,;25.57,-19.1,;25.97,-20.59,;27.45,-20.98,;28.54,-19.89,;27.85,-22.47,;29.36,-22.79,;26.82,-23.62,;25.31,-23.3,;24.02,-24.13,;23.19,-22.84,;24.48,-22.01,;21.68,-22.52,;21.05,-21.11,;19.52,-21.28,;19.2,-22.78,;17.87,-23.56,;16.53,-22.78,;15.2,-23.56,;13.87,-22.78,;13.87,-21.24,;12.54,-20.48,;11.2,-21.24,;9.86,-20.48,;11.2,-22.78,;9.86,-23.56,;12.54,-23.56,;17.87,-25.09,;19.2,-25.86,;20.53,-25.09,;20.53,-23.56,)| Show InChI InChI=1S/C23H21F2N7O/c1-13-3-2-4-19(30-13)23(33)31-15-8-16(9-15)32-12-29-20-21(27-11-28-22(20)32)26-10-14-5-6-17(24)18(25)7-14/h2-7,11-12,15-16H,8-10H2,1H3,(H,31,33)(H,26,27,28)/t15-,16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	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