BDBM50245865 ((S)-3-(dimethylamino)pyrrolidin-1-yl)(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)phenyl)methanone::CHEMBL460102::N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine

SMILES: CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@@H](C2)N(C)C)ncc1F

InChI Key: InChIKey=BACSZMCLZIDTIO-IBGZPJMESA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50245865   

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 2 (Homo sapiens (Human))	BDBM50245865 (((S)-3-(dimethylamino)pyrrolidin-1-yl)(4-(5-fluoro...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@@H](C2)N(C)C)ncc1F |r| Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-13-21(32)22-20(25)12-27-24(29-22)28-18-8-6-17(7-9-18)23(33)31-11-10-19(14-31)30(4)5/h6-9,12-13,15,19H,10-11,14H2,1-5H3,(H,27,28,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6369-73 (2008) Article DOI: 10.1016/j.bmcl.2008.10.102 BindingDB Entry DOI: 10.7270/Q2XW4JNM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50245865 (((S)-3-(dimethylamino)pyrrolidin-1-yl)(4-(5-fluoro...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@@H](C2)N(C)C)ncc1F |r| Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-13-21(32)22-20(25)12-27-24(29-22)28-18-8-6-17(7-9-18)23(33)31-11-10-19(14-31)30(4)5/h6-9,12-13,15,19H,10-11,14H2,1-5H3,(H,27,28,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Bioorg Med Chem Lett 18: 6369-73 (2008) Article DOI: 10.1016/j.bmcl.2008.10.102 BindingDB Entry DOI: 10.7270/Q2XW4JNM
					More data for this Ligand-Target Pair