BDBM50440138 CHEMBL2426383

SMILES: COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1

InChI Key: InChIKey=XYZIPKBTOPMPRH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50440138   

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 7 (Homo sapiens (Human))	BDBM50440138 (CHEMBL2426383) Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H22N4O2S/c1-17-8-10-18(11-9-17)23-22(16-29(28-23)20-6-4-3-5-7-20)24(30)27-25(32)26-19-12-14-21(31-2)15-13-19/h3-16H,1-2H3,(H2,26,27,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP				Eur J Med Chem 68: 1-9 (2013) Article DOI: 10.1016/j.ejmech.2013.07.003 BindingDB Entry DOI: 10.7270/Q2PK0HKH
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50440138 (CHEMBL2426383) Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H22N4O2S/c1-17-8-10-18(11-9-17)23-22(16-29(28-23)20-6-4-3-5-7-20)24(30)27-25(32)26-19-12-14-21(31-2)15-13-19/h3-16H,1-2H3,(H2,26,27,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	584	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP				Eur J Med Chem 68: 1-9 (2013) Article DOI: 10.1016/j.ejmech.2013.07.003 BindingDB Entry DOI: 10.7270/Q2PK0HKH
					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM50440138 (CHEMBL2426383) Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H22N4O2S/c1-17-8-10-18(11-9-17)23-22(16-29(28-23)20-6-4-3-5-7-20)24(30)27-25(32)26-19-12-14-21(31-2)15-13-19/h3-16H,1-2H3,(H2,26,27,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP				Eur J Med Chem 68: 1-9 (2013) Article DOI: 10.1016/j.ejmech.2013.07.003 BindingDB Entry DOI: 10.7270/Q2PK0HKH
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50440138 (CHEMBL2426383) Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H22N4O2S/c1-17-8-10-18(11-9-17)23-22(16-29(28-23)20-6-4-3-5-7-20)24(30)27-25(32)26-19-12-14-21(31-2)15-13-19/h3-16H,1-2H3,(H2,26,27,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of CDK6 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP				Eur J Med Chem 68: 1-9 (2013) Article DOI: 10.1016/j.ejmech.2013.07.003 BindingDB Entry DOI: 10.7270/Q2PK0HKH
					More data for this Ligand-Target Pair