BDBM50440020 CHEMBL2425655

SMILES: CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1nnc2ccccc12

InChI Key: InChIKey=JSQNZBQJTQNCFK-JOCQHMNTSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50440020   

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))	BDBM50440020 (CHEMBL2425655) Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1nnc2ccccc12 |r,wU:8.11,wD:5.4,(4.67,-9.66,;3.88,-8.32,;3.09,-6.98,;2.54,-9.1,;5.22,-7.53,;6.57,-8.3,;6.58,-9.85,;7.92,-10.61,;9.25,-9.83,;9.24,-8.29,;7.92,-7.53,;10.6,-10.6,;11.94,-9.82,;11.94,-8.28,;13.27,-7.51,;14.6,-8.27,;14.6,-9.82,;13.28,-10.59,;15.94,-10.58,;17.36,-10.03,;18.33,-11.22,;17.5,-12.52,;17.91,-14,;16.83,-15.08,;15.33,-14.67,;14.94,-13.22,;16.02,-12.12,)| Show InChI InChI=1S/C17H21N7O2S/c1-27(25,26)22-13-8-6-12(7-9-13)19-17-18-11-10-16(20-17)24-15-5-3-2-4-14(15)21-23-24/h2-5,10-13,22H,6-9H2,1H3,(H,18,19,20)/t12-,13-	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	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of human recombinant human CDK1/GST-tagged cyclin B expressed in baculovirus infected insect cells assessed as inhibition of 6XHis-tagged ...				Bioorg Med Chem Lett 23: 1486-92 (2013) Article DOI: 10.1016/j.bmcl.2012.12.047 BindingDB Entry DOI: 10.7270/Q20003HK
					More data for this Ligand-Target Pair