BDBM50191921 CHEMBL215048::N-cyclohexyl-4-(1-(methylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

SMILES: CS(=O)(=O)n1cc(-c2ccnc(NC3CCCCC3)n2)c2cccnc12

InChI Key: InChIKey=CIJGOELHKOXFQD-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50191921   

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 B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human))	BDBM50191921 (CHEMBL215048 | N-cyclohexyl-4-(1-(methylsulfonyl)-...) Show SMILES CS(=O)(=O)n1cc(-c2ccnc(NC3CCCCC3)n2)c2cccnc12 Show InChI InChI=1S/C18H21N5O2S/c1-26(24,25)23-12-15(14-8-5-10-19-17(14)23)16-9-11-20-18(22-16)21-13-6-3-2-4-7-13/h5,8-13H,2-4,6-7H2,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclinB by Flashplate assay				Bioorg Med Chem Lett 16: 4818-21 (2006) Article DOI: 10.1016/j.bmcl.2006.06.073 BindingDB Entry DOI: 10.7270/Q2571BNM
					More data for this Ligand-Target Pair