BDBM50444662 CHEMBL3098660

SMILES: [#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(F)cc2)-[#6](-[#8])=O)cc1

InChI Key: InChIKey=GDGGFEHTFKEKMA-DZUOILHNSA-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 = 50444662   

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-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444662 (CHEMBL3098660) Show SMILES [#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(F)cc2)-[#6](-[#8])=O)cc1 |r| Show InChI InChI=1S/C36H51FN8O8/c1-4-16-53-25-13-9-23(10-14-25)19-31(47)42-26(6-5-15-41-36(39)40)32(48)43-27(17-21(2)3)33(49)44-28(20-30(38)46)34(50)45-29(35(51)52)18-22-7-11-24(37)12-8-22/h7-14,21,26-29H,4-6,15-20H2,1-3H3,(H2,38,46)(H,42,47)(H,43,48)(H,44,49)(H,45,50)(H,51,52)(H4,39,40,41)/t26-,27-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...				Bioorg Med Chem 22: 616-22 (2013) Article DOI: 10.1016/j.bmc.2013.10.039 BindingDB Entry DOI: 10.7270/Q2416ZHS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50444662 (CHEMBL3098660) Show SMILES [#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(F)cc2)-[#6](-[#8])=O)cc1 |r| Show InChI InChI=1S/C36H51FN8O8/c1-4-16-53-25-13-9-23(10-14-25)19-31(47)42-26(6-5-15-41-36(39)40)32(48)43-27(17-21(2)3)33(49)44-28(20-30(38)46)34(50)45-29(35(51)52)18-22-7-11-24(37)12-8-22/h7-14,21,26-29H,4-6,15-20H2,1-3H3,(H2,38,46)(H,42,47)(H,43,48)(H,44,49)(H,45,50)(H,51,52)(H4,39,40,41)/t26-,27-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...				Bioorg Med Chem 22: 616-22 (2013) Article DOI: 10.1016/j.bmc.2013.10.039 BindingDB Entry DOI: 10.7270/Q2416ZHS
					More data for this Ligand-Target Pair