BDBM50458043 CHEMBL4210299

SMILES: CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(CC3CC3)CC2)ncc1F

InChI Key: InChIKey=DZDDEICDXJYDRL-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 = 50458043   

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))	BDBM50458043 (CHEMBL4210299) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(CC3CC3)CC2)ncc1F Show InChI InChI=1S/C32H38F2N8/c1-19(2)42-20(3)36-31-25(33)14-23(15-28(31)42)30-26(34)16-35-32(39-30)38-29-7-6-22-18-41(13-10-27(22)37-29)24-8-11-40(12-9-24)17-21-4-5-21/h6-7,14-16,19,21,24H,4-5,8-13,17-18H2,1-3H3,(H,35,37,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46E+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
CDK4/E1 (Homo sapiens (Human))	BDBM50458043 (CHEMBL4210299) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(CC3CC3)CC2)ncc1F Show InChI InChI=1S/C32H38F2N8/c1-19(2)42-20(3)36-31-25(33)14-23(15-28(31)42)30-26(34)16-35-32(39-30)38-29-7-6-22-18-41(13-10-27(22)37-29)24-8-11-40(12-9-24)17-21-4-5-21/h6-7,14-16,19,21,24H,4-5,8-13,17-18H2,1-3H3,(H,35,37,38,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	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