BDBM50443457 CHEMBL3087433

SMILES: CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1C#N

InChI Key: InChIKey=ANZDEYYSOIFTCU-UHFFFAOYSA-N

Data: 4 KI

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 = 50443457   

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 9 (CDK9) (Homo sapiens (Human))	BDBM50443457 (CHEMBL3087433) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1C#N Show InChI InChI=1S/C23H26N8OS/c1-14-20(33-23(25-2)27-14)19-16(12-24)13-26-22(30-19)29-17-6-4-15(5-7-17)21(32)28-18-8-10-31(3)11-9-18/h4-7,13,18H,8-11H2,1-3H3,(H,25,27)(H,28,32)(H,26,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin T1 (unknown origin) by radiometric assay				Eur J Med Chem 70: 447-55 (2013) Article DOI: 10.1016/j.ejmech.2013.08.052 BindingDB Entry DOI: 10.7270/Q24J0GKS
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50443457 (CHEMBL3087433) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1C#N Show InChI InChI=1S/C23H26N8OS/c1-14-20(33-23(25-2)27-14)19-16(12-24)13-26-22(30-19)29-17-6-4-15(5-7-17)21(32)28-18-8-10-31(3)11-9-18/h4-7,13,18H,8-11H2,1-3H3,(H,25,27)(H,28,32)(H,26,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assay				Eur J Med Chem 70: 447-55 (2013) Article DOI: 10.1016/j.ejmech.2013.08.052 BindingDB Entry DOI: 10.7270/Q24J0GKS
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50443457 (CHEMBL3087433) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1C#N Show InChI InChI=1S/C23H26N8OS/c1-14-20(33-23(25-2)27-14)19-16(12-24)13-26-22(30-19)29-17-6-4-15(5-7-17)21(32)28-18-8-10-31(3)11-9-18/h4-7,13,18H,8-11H2,1-3H3,(H,25,27)(H,28,32)(H,26,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B (unknown origin) by radiometric assay				Eur J Med Chem 70: 447-55 (2013) Article DOI: 10.1016/j.ejmech.2013.08.052 BindingDB Entry DOI: 10.7270/Q24J0GKS
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7) (Homo sapiens (Human))	BDBM50443457 (CHEMBL3087433) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1C#N Show InChI InChI=1S/C23H26N8OS/c1-14-20(33-23(25-2)27-14)19-16(12-24)13-26-22(30-19)29-17-6-4-15(5-7-17)21(32)28-18-8-10-31(3)11-9-18/h4-7,13,18H,8-11H2,1-3H3,(H,25,27)(H,28,32)(H,26,29,30)	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	304	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of CDK7/Cyclin H (unknown origin) by radiometric assay				Eur J Med Chem 70: 447-55 (2013) Article DOI: 10.1016/j.ejmech.2013.08.052 BindingDB Entry DOI: 10.7270/Q24J0GKS
					More data for this Ligand-Target Pair