BDBM50458049 CHEMBL4214827

SMILES: CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(C)CC2)ncc1F

InChI Key: InChIKey=ZZJRRZQQOYYZCO-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 = 50458049   

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
CDK4/E1 (Homo sapiens (Human))	BDBM50458049 (CHEMBL4214827) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(C)CC2)ncc1F Show InChI InChI=1S/C29H34F2N8/c1-17(2)39-18(3)33-28-22(30)13-20(14-25(28)39)27-23(31)15-32-29(36-27)35-26-6-5-19-16-38(12-9-24(19)34-26)21-7-10-37(4)11-8-21/h5-6,13-15,17,21H,7-12,16H2,1-4H3,(H,32,34,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	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
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50458049 (CHEMBL4214827) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(C)CC2)ncc1F Show InChI InChI=1S/C29H34F2N8/c1-17(2)39-18(3)33-28-22(30)13-20(14-25(28)39)27-23(31)15-32-29(36-27)35-26-6-5-19-16-38(12-9-24(19)34-26)21-7-10-37(4)11-8-21/h5-6,13-15,17,21H,7-12,16H2,1-4H3,(H,32,34,35,36)	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+3	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