BDBM50367856 CHEMBL4166407

SMILES: COC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1

InChI Key: InChIKey=ISQDCYJPZNRXLS-AQYVVDRMSA-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 = 50367856   

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)	BDBM50367856 (CHEMBL4166407) Show SMILES COC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |r,wU:5.4,wD:8.11,(21.69,-21.38,;23.01,-20.6,;24.35,-21.36,;25.68,-20.58,;24.28,-22.9,;22.96,-23.68,;22.97,-25.22,;21.64,-26,;20.3,-25.24,;20.29,-23.7,;21.62,-22.92,;18.97,-26.02,;17.63,-25.26,;16.31,-26.04,;14.96,-25.28,;14.95,-23.74,;16.28,-22.96,;17.62,-23.72,;13.61,-22.98,;12.27,-22.22,;25.59,-23.73,;26.96,-23.02,;28.26,-23.85,;28.19,-25.39,;26.81,-26.1,;25.52,-25.27,;29.48,-26.22,;29.57,-27.75,;31.07,-28.14,;31.89,-26.85,;33.44,-26.75,;30.92,-25.66,)| Show InChI InChI=1S/C24H26N6O2/c1-29-16-19(15-27-29)18-4-8-21(9-5-18)30(24(31)32-2)22-10-6-20(7-11-22)28-23-12-3-17(13-25)14-26-23/h3-5,8-9,12,14-16,20,22H,6-7,10-11H2,1-2H3,(H,26,28)/t20-,22-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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))	BDBM50367856 (CHEMBL4166407) Show SMILES COC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |r,wU:5.4,wD:8.11,(21.69,-21.38,;23.01,-20.6,;24.35,-21.36,;25.68,-20.58,;24.28,-22.9,;22.96,-23.68,;22.97,-25.22,;21.64,-26,;20.3,-25.24,;20.29,-23.7,;21.62,-22.92,;18.97,-26.02,;17.63,-25.26,;16.31,-26.04,;14.96,-25.28,;14.95,-23.74,;16.28,-22.96,;17.62,-23.72,;13.61,-22.98,;12.27,-22.22,;25.59,-23.73,;26.96,-23.02,;28.26,-23.85,;28.19,-25.39,;26.81,-26.1,;25.52,-25.27,;29.48,-26.22,;29.57,-27.75,;31.07,-28.14,;31.89,-26.85,;33.44,-26.75,;30.92,-25.66,)| Show InChI InChI=1S/C24H26N6O2/c1-29-16-19(15-27-29)18-4-8-21(9-5-18)30(24(31)32-2)22-10-6-20(7-11-22)28-23-12-3-17(13-25)14-26-23/h3-5,8-9,12,14-16,20,22H,6-7,10-11H2,1-2H3,(H,26,28)/t20-,22-	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	1.60E+3	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