BDBM50367677 CHEMBL4165310

SMILES: COc1ccc(NC2CCN(CC2)S(=O)(=O)c2ccc(cc2)-c2cnn(C)c2)nc1

InChI Key: InChIKey=CDLMIUHABDOHHW-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 = 50367677   

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)	BDBM50367677 (CHEMBL4165310) Show SMILES COc1ccc(NC2CCN(CC2)S(=O)(=O)c2ccc(cc2)-c2cnn(C)c2)nc1 Show InChI InChI=1S/C21H25N5O3S/c1-25-15-17(13-23-25)16-3-6-20(7-4-16)30(27,28)26-11-9-18(10-12-26)24-21-8-5-19(29-2)14-22-21/h3-8,13-15,18H,9-12H2,1-2H3,(H,22,24)	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))	BDBM50367677 (CHEMBL4165310) Show SMILES COc1ccc(NC2CCN(CC2)S(=O)(=O)c2ccc(cc2)-c2cnn(C)c2)nc1 Show InChI InChI=1S/C21H25N5O3S/c1-25-15-17(13-23-25)16-3-6-20(7-4-16)30(27,28)26-11-9-18(10-12-26)24-21-8-5-19(29-2)14-22-21/h3-8,13-15,18H,9-12H2,1-2H3,(H,22,24)	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	2.10E+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