BDBM50261213 CHEMBL4072013

SMILES: Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCC3CCNCC3)ncnc12

InChI Key: InChIKey=KGLQVHSLHDKNTQ-CALCHBBNSA-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 = 50261213   

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 5 (CDK5) (Homo sapiens (Human))	BDBM50261213 (CHEMBL4072013) Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCC3CCNCC3)ncnc12 |r,wU:12.15,10.10,(35.5,-21.79,;34.42,-22.88,;32.93,-22.48,;31.84,-23.57,;32.24,-25.06,;33.72,-25.45,;34.81,-24.37,;34.13,-26.94,;35.63,-27.26,;33.1,-28.09,;31.59,-27.77,;30.29,-28.6,;29.46,-27.31,;30.75,-26.48,;27.95,-26.99,;27.32,-25.59,;25.79,-25.75,;25.47,-27.25,;24.14,-28.03,;22.81,-27.25,;21.47,-28.03,;20.14,-27.25,;20.14,-25.71,;18.81,-24.95,;17.48,-25.71,;17.48,-27.25,;18.81,-28.03,;24.14,-29.57,;25.47,-30.33,;26.81,-29.57,;26.81,-28.03,)| Show InChI InChI=1S/C22H28N8O/c1-14-3-2-4-18(28-14)22(31)29-16-9-17(10-16)30-13-27-19-20(25-12-26-21(19)30)24-11-15-5-7-23-8-6-15/h2-4,12-13,15-17,23H,5-11H2,1H3,(H,29,31)(H,24,25,26)/t16-,17+	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	71	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
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50261213 (CHEMBL4072013) Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCC3CCNCC3)ncnc12 |r,wU:12.15,10.10,(35.5,-21.79,;34.42,-22.88,;32.93,-22.48,;31.84,-23.57,;32.24,-25.06,;33.72,-25.45,;34.81,-24.37,;34.13,-26.94,;35.63,-27.26,;33.1,-28.09,;31.59,-27.77,;30.29,-28.6,;29.46,-27.31,;30.75,-26.48,;27.95,-26.99,;27.32,-25.59,;25.79,-25.75,;25.47,-27.25,;24.14,-28.03,;22.81,-27.25,;21.47,-28.03,;20.14,-27.25,;20.14,-25.71,;18.81,-24.95,;17.48,-25.71,;17.48,-27.25,;18.81,-28.03,;24.14,-29.57,;25.47,-30.33,;26.81,-29.57,;26.81,-28.03,)| Show InChI InChI=1S/C22H28N8O/c1-14-3-2-4-18(28-14)22(31)29-16-9-17(10-16)30-13-27-19-20(25-12-26-21(19)30)24-11-15-5-7-23-8-6-15/h2-4,12-13,15-17,23H,5-11H2,1H3,(H,29,31)(H,24,25,26)/t16-,17+	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	48	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