BDBM50367912 CHEMBL4176994

SMILES: CN(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnn(C)c1)c1ccc(cn1)C#N

InChI Key: InChIKey=DKEBRBUNFRVGLP-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 = 50367912   

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 12 (Homo sapiens)	BDBM50367912 (CHEMBL4176994) Show SMILES CN(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnn(C)c1)c1ccc(cn1)C#N Show InChI InChI=1S/C22H24N6O2S/c1-26-16-19(15-25-26)18-4-6-21(7-5-18)31(29,30)28-11-9-20(10-12-28)27(2)22-8-3-17(13-23)14-24-22/h3-8,14-16,20H,9-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50367912 (CHEMBL4176994) Show SMILES CN(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnn(C)c1)c1ccc(cn1)C#N Show InChI InChI=1S/C22H24N6O2S/c1-26-16-19(15-25-26)18-4-6-21(7-5-18)31(29,30)28-11-9-20(10-12-28)27(2)22-8-3-17(13-23)14-24-22/h3-8,14-16,20H,9-12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair