BDBM50261188 CHEMBL4098980

SMILES: Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCC3CCN(CC3)C(=O)OC(C)(C)C)ncnc12

InChI Key: InChIKey=AREWHVALAPEARZ-BGYRXZFFSA-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 = 50261188   

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))	BDBM50261188 (CHEMBL4098980) Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCC3CCN(CC3)C(=O)OC(C)(C)C)ncnc12 |r,wU:12.15,10.10,(33.46,-18.55,;32.37,-19.63,;30.88,-19.22,;29.79,-20.32,;30.18,-21.8,;31.67,-22.2,;32.76,-21.12,;32.06,-23.69,;33.56,-24.01,;31.02,-24.84,;29.51,-24.51,;28.22,-25.33,;27.39,-24.04,;28.69,-23.22,;25.88,-23.71,;25.26,-22.31,;23.73,-22.46,;23.4,-23.97,;22.07,-24.74,;20.74,-23.96,;19.41,-24.73,;18.07,-23.95,;18.08,-22.41,;16.75,-21.64,;15.41,-22.4,;15.41,-23.94,;16.73,-24.72,;14.08,-21.63,;14.09,-20.09,;12.74,-22.39,;11.41,-21.62,;10.08,-20.84,;11.42,-20.09,;10.08,-22.38,;22.06,-26.28,;23.39,-27.05,;24.73,-26.29,;24.74,-24.75,)| Show InChI InChI=1S/C27H36N8O3/c1-17-6-5-7-21(32-17)25(36)33-19-12-20(13-19)35-16-31-22-23(29-15-30-24(22)35)28-14-18-8-10-34(11-9-18)26(37)38-27(2,3)4/h5-7,15-16,18-20H,8-14H2,1-4H3,(H,33,36)(H,28,29,30)/t19-,20+	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	376	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))	BDBM50261188 (CHEMBL4098980) Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCC3CCN(CC3)C(=O)OC(C)(C)C)ncnc12 |r,wU:12.15,10.10,(33.46,-18.55,;32.37,-19.63,;30.88,-19.22,;29.79,-20.32,;30.18,-21.8,;31.67,-22.2,;32.76,-21.12,;32.06,-23.69,;33.56,-24.01,;31.02,-24.84,;29.51,-24.51,;28.22,-25.33,;27.39,-24.04,;28.69,-23.22,;25.88,-23.71,;25.26,-22.31,;23.73,-22.46,;23.4,-23.97,;22.07,-24.74,;20.74,-23.96,;19.41,-24.73,;18.07,-23.95,;18.08,-22.41,;16.75,-21.64,;15.41,-22.4,;15.41,-23.94,;16.73,-24.72,;14.08,-21.63,;14.09,-20.09,;12.74,-22.39,;11.41,-21.62,;10.08,-20.84,;11.42,-20.09,;10.08,-22.38,;22.06,-26.28,;23.39,-27.05,;24.73,-26.29,;24.74,-24.75,)| Show InChI InChI=1S/C27H36N8O3/c1-17-6-5-7-21(32-17)25(36)33-19-12-20(13-19)35-16-31-22-23(29-15-30-24(22)35)28-14-18-8-10-34(11-9-18)26(37)38-27(2,3)4/h5-7,15-16,18-20H,8-14H2,1-4H3,(H,33,36)(H,28,29,30)/t19-,20+	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	90	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