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SMILES: COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)c(C)n1

InChI Key: InChIKey=GYCMNQWPVCUOPZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50248686   

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-C (Homo sapiens (Human))	BDBM50248686 (CHEMBL4071040) Show SMILES COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)c(C)n1 Show InChI InChI=1S/C20H20N4O4S2/c1-10-14(6-5-13(24-10)19(26)22-7-8-27-2)28-20-15-12(17(29-20)18(21)25)4-3-11-9-23-30-16(11)15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,21,25)(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay				Bioorg Med Chem 25: 2336-2350 (2017) Article DOI: 10.1016/j.bmc.2017.02.038 BindingDB Entry DOI: 10.7270/Q21J9D6H
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50248686 (CHEMBL4071040) Show SMILES COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)c(C)n1 Show InChI InChI=1S/C20H20N4O4S2/c1-10-14(6-5-13(24-10)19(26)22-7-8-27-2)28-20-15-12(17(29-20)18(21)25)4-3-11-9-23-30-16(11)15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,21,25)(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.350	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards HSV-1 thymidine kinase				Bioorg Med Chem 25: 2336-2350 (2017) Article DOI: 10.1016/j.bmc.2017.02.038 BindingDB Entry DOI: 10.7270/Q21J9D6H
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50248686 (CHEMBL4071040) Show SMILES COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)c(C)n1 Show InChI InChI=1S/C20H20N4O4S2/c1-10-14(6-5-13(24-10)19(26)22-7-8-27-2)28-20-15-12(17(29-20)18(21)25)4-3-11-9-23-30-16(11)15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,21,25)(H,22,26)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay				Bioorg Med Chem 25: 2336-2350 (2017) Article DOI: 10.1016/j.bmc.2017.02.038 BindingDB Entry DOI: 10.7270/Q21J9D6H
					More data for this Ligand-Target Pair