BDBM50261210 CHEMBL4104979

SMILES: CC(=O)N1CCC(CC1)Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](C1)NC(=O)c1cccc(C)n1

InChI Key: InChIKey=KBMRQCQCDYQDIH-HDICACEKSA-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 = 50261210   

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))	BDBM50261210 (CHEMBL4104979) Show SMILES CC(=O)N1CCC(CC1)Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](C1)NC(=O)c1cccc(C)n1 |r,wU:19.21,21.26,(17.13,-19.64,;18.45,-20.43,;18.43,-21.97,;19.8,-19.68,;21.12,-20.47,;22.46,-19.73,;22.49,-18.19,;21.17,-17.39,;19.82,-18.14,;23.84,-17.44,;25.16,-18.23,;25.13,-19.77,;26.45,-20.56,;27.8,-19.82,;27.82,-18.28,;28.99,-17.27,;28.38,-15.85,;26.85,-15.98,;26.5,-17.48,;30.49,-17.61,;31.3,-18.92,;32.61,-18.1,;31.79,-16.79,;34.11,-18.45,;35.16,-17.32,;36.66,-17.66,;34.79,-15.83,;33.31,-15.4,;32.93,-13.91,;34.04,-12.84,;35.52,-13.26,;36.63,-12.19,;35.89,-14.75,)| Show InChI InChI=1S/C23H28N8O2/c1-14-4-3-5-19(27-14)23(33)29-17-10-18(11-17)31-13-26-20-21(24-12-25-22(20)31)28-16-6-8-30(9-7-16)15(2)32/h3-5,12-13,16-18H,6-11H2,1-2H3,(H,29,33)(H,24,25,28)/t17-,18+	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	474	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))	BDBM50261210 (CHEMBL4104979) Show SMILES CC(=O)N1CCC(CC1)Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](C1)NC(=O)c1cccc(C)n1 |r,wU:19.21,21.26,(17.13,-19.64,;18.45,-20.43,;18.43,-21.97,;19.8,-19.68,;21.12,-20.47,;22.46,-19.73,;22.49,-18.19,;21.17,-17.39,;19.82,-18.14,;23.84,-17.44,;25.16,-18.23,;25.13,-19.77,;26.45,-20.56,;27.8,-19.82,;27.82,-18.28,;28.99,-17.27,;28.38,-15.85,;26.85,-15.98,;26.5,-17.48,;30.49,-17.61,;31.3,-18.92,;32.61,-18.1,;31.79,-16.79,;34.11,-18.45,;35.16,-17.32,;36.66,-17.66,;34.79,-15.83,;33.31,-15.4,;32.93,-13.91,;34.04,-12.84,;35.52,-13.26,;36.63,-12.19,;35.89,-14.75,)| Show InChI InChI=1S/C23H28N8O2/c1-14-4-3-5-19(27-14)23(33)29-17-10-18(11-17)31-13-26-20-21(24-12-25-22(20)31)28-16-6-8-30(9-7-16)15(2)32/h3-5,12-13,16-18H,6-11H2,1-2H3,(H,29,33)(H,24,25,28)/t17-,18+	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	179	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