BDBM50464605 CHEMBL4289967

SMILES: CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C(C)(CC)c3c2)nc1

InChI Key: InChIKey=GZUIGXOHHAYCLT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50464605   

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 4 (CDK4) (Homo sapiens (Human))	BDBM50464605 (CHEMBL4289967) Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C(C)(CC)c3c2)nc1 |t:26| Show InChI InChI=1S/C28H33FN6/c1-5-28(4)18(3)32-24-9-7-20(15-22(24)28)26-23(29)17-31-27(34-26)33-25-10-8-21(16-30-25)19-11-13-35(6-2)14-12-19/h7-10,15-17,19H,5-6,11-14H2,1-4H3,(H,30,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin-D1 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50464605 (CHEMBL4289967) Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C(C)(CC)c3c2)nc1 |t:26| Show InChI InChI=1S/C28H33FN6/c1-5-28(4)18(3)32-24-9-7-20(15-22(24)28)26-23(29)17-31-27(34-26)33-25-10-8-21(16-30-25)19-11-13-35(6-2)14-12-19/h7-10,15-17,19H,5-6,11-14H2,1-4H3,(H,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
CDK6/CycD3 (Homo sapiens (Human))	BDBM50464605 (CHEMBL4289967) Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C(C)(CC)c3c2)nc1 |t:26| Show InChI InChI=1S/C28H33FN6/c1-5-28(4)18(3)32-24-9-7-20(15-22(24)28)26-23(29)17-31-27(34-26)33-25-10-8-21(16-30-25)19-11-13-35(6-2)14-12-19/h7-10,15-17,19H,5-6,11-14H2,1-4H3,(H,30,31,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK6/Cyclin-D3 (unknown origin) using histoneH1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair