BDBM50347866 CHEMBL1802384

SMILES: CCc1nc(C)c(C=C2C(=O)Nc3ccc(cc23)C(=O)CCl)[nH]1

InChI Key: InChIKey=YRILYOCSQCFEQY-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 = 50347866   

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))	BDBM50347866 (CHEMBL1802384) Show SMILES CCc1nc(C)c(C=C2C(=O)Nc3ccc(cc23)C(=O)CCl)[nH]1 |w:7.6| Show InChI InChI=1S/C17H16ClN3O2/c1-3-16-19-9(2)14(20-16)7-12-11-6-10(15(22)8-18)4-5-13(11)21-17(12)23/h4-7H,3,8H2,1-2H3,(H,19,20)(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Cdk1/cyclinB using histone H1 as a substrate and [gamma-32P]ATP				J Med Chem 54: 4133-46 (2011) Article DOI: 10.1021/jm200222m BindingDB Entry DOI: 10.7270/Q2QC03TX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50347866 (CHEMBL1802384) Show SMILES CCc1nc(C)c(C=C2C(=O)Nc3ccc(cc23)C(=O)CCl)[nH]1 |w:7.6| Show InChI InChI=1S/C17H16ClN3O2/c1-3-16-19-9(2)14(20-16)7-12-11-6-10(15(22)8-18)4-5-13(11)21-17(12)23/h4-7H,3,8H2,1-2H3,(H,19,20)(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Nek2 in using [gamma-32P] ATP				J Med Chem 54: 4133-46 (2011) Article DOI: 10.1021/jm200222m BindingDB Entry DOI: 10.7270/Q2QC03TX
					More data for this Ligand-Target Pair