BDBM50261187 CHEMBL4082490

SMILES: Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NC3CCN(CC3)C(=O)OC(C)(C)C)ncnc12

InChI Key: InChIKey=ZHRBVPKKEHKSFH-KDURUIRLSA-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 = 50261187   

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))	BDBM50261187 (CHEMBL4082490) Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NC3CCN(CC3)C(=O)OC(C)(C)C)ncnc12 |r,wU:10.10,12.15,(35.5,-22.63,;34.42,-23.72,;32.93,-23.33,;31.84,-24.42,;32.24,-25.9,;33.73,-26.3,;34.82,-25.21,;34.13,-27.79,;35.63,-28.1,;33.1,-28.93,;31.59,-28.61,;30.31,-29.46,;29.46,-28.16,;30.75,-27.33,;27.95,-27.85,;27.33,-26.44,;25.8,-26.6,;25.48,-28.11,;24.15,-28.88,;22.81,-28.11,;21.47,-28.89,;20.14,-28.12,;18.81,-28.89,;18.81,-30.43,;20.14,-31.2,;21.48,-30.43,;17.48,-31.2,;16.15,-30.44,;17.48,-32.74,;16.15,-33.52,;16.16,-35.05,;14.82,-32.76,;14.81,-34.27,;24.15,-30.42,;25.48,-31.19,;26.82,-30.42,;26.81,-28.88,)| Show InChI InChI=1S/C26H34N8O3/c1-16-6-5-7-20(30-16)24(35)32-18-12-19(13-18)34-15-29-21-22(27-14-28-23(21)34)31-17-8-10-33(11-9-17)25(36)37-26(2,3)4/h5-7,14-15,17-19H,8-13H2,1-4H3,(H,32,35)(H,27,28,31)/t18-,19+	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	95	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))	BDBM50261187 (CHEMBL4082490) Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NC3CCN(CC3)C(=O)OC(C)(C)C)ncnc12 |r,wU:10.10,12.15,(35.5,-22.63,;34.42,-23.72,;32.93,-23.33,;31.84,-24.42,;32.24,-25.9,;33.73,-26.3,;34.82,-25.21,;34.13,-27.79,;35.63,-28.1,;33.1,-28.93,;31.59,-28.61,;30.31,-29.46,;29.46,-28.16,;30.75,-27.33,;27.95,-27.85,;27.33,-26.44,;25.8,-26.6,;25.48,-28.11,;24.15,-28.88,;22.81,-28.11,;21.47,-28.89,;20.14,-28.12,;18.81,-28.89,;18.81,-30.43,;20.14,-31.2,;21.48,-30.43,;17.48,-31.2,;16.15,-30.44,;17.48,-32.74,;16.15,-33.52,;16.16,-35.05,;14.82,-32.76,;14.81,-34.27,;24.15,-30.42,;25.48,-31.19,;26.82,-30.42,;26.81,-28.88,)| Show InChI InChI=1S/C26H34N8O3/c1-16-6-5-7-20(30-16)24(35)32-18-12-19(13-18)34-15-29-21-22(27-14-28-23(21)34)31-17-8-10-33(11-9-17)25(36)37-26(2,3)4/h5-7,14-15,17-19H,8-13H2,1-4H3,(H,32,35)(H,27,28,31)/t18-,19+	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	66	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