BDBM50458050 CHEMBL4203758

SMILES: CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1

InChI Key: InChIKey=GGVDABBWRBBUHL-UHFFFAOYSA-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 = 50458050   

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 1 (CDK1) (Homo sapiens (Human))	BDBM50458050 (CHEMBL4203758) Show SMILES CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1 Show InChI InChI=1S/C28H31F2N7/c1-3-36-12-11-23-18(16-36)9-10-25(33-23)34-28-31-15-22(30)26(35-28)19-13-21(29)27-24(14-19)37(17(2)32-27)20-7-5-4-6-8-20/h9-10,13-15,20H,3-8,11-12,16H2,1-2H3,(H,31,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai HaiHe Pharmaceutical, Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human CDK1/Cyclin-B using ULight-substrate after 1 hr by LANCE assay				Eur J Med Chem 148: 140-153 (2018) Article DOI: 10.1016/j.ejmech.2018.02.022 BindingDB Entry DOI: 10.7270/Q2154KNQ
					More data for this Ligand-Target Pair
CDK4/E1 (Homo sapiens (Human))	BDBM50458050 (CHEMBL4203758) Show SMILES CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1 Show InChI InChI=1S/C28H31F2N7/c1-3-36-12-11-23-18(16-36)9-10-25(33-23)34-28-31-15-22(30)26(35-28)19-13-21(29)27-24(14-19)37(17(2)32-27)20-7-5-4-6-8-20/h9-10,13-15,20H,3-8,11-12,16H2,1-2H3,(H,31,33,34,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai HaiHe Pharmaceutical, Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay				Eur J Med Chem 148: 140-153 (2018) Article DOI: 10.1016/j.ejmech.2018.02.022 BindingDB Entry DOI: 10.7270/Q2154KNQ
					More data for this Ligand-Target Pair