BDBM50501598 CHEMBL4103372

SMILES: CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3sc(NC4CCCC4)nc3C)nc2)CC1

InChI Key: InChIKey=VJFMIBISXQANRG-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50501598   

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 4 (CDK4) (Homo sapiens (Human))	BDBM50501598 (CHEMBL4103372) Show SMILES CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3sc(NC4CCCC4)nc3C)nc2)CC1 Show InChI InChI=1S/C25H34N8S/c1-3-32-12-14-33(15-13-32)17-19-8-9-22(27-16-19)31-24-26-11-10-21(30-24)23-18(2)28-25(34-23)29-20-6-4-5-7-20/h8-11,16,20H,3-7,12-15,17H2,1-2H3,(H,28,29)(H,26,27,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK4/cyclin D1 (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
					More data for this Ligand-Target Pair
CDK6/CycD3 (Homo sapiens (Human))	BDBM50501598 (CHEMBL4103372) Show SMILES CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3sc(NC4CCCC4)nc3C)nc2)CC1 Show InChI InChI=1S/C25H34N8S/c1-3-32-12-14-33(15-13-32)17-19-8-9-22(27-16-19)31-24-26-11-10-21(30-24)23-18(2)28-25(34-23)29-20-6-4-5-7-20/h8-11,16,20H,3-7,12-15,17H2,1-2H3,(H,28,29)(H,26,27,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK6/cyclin D3 (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7) (Homo sapiens (Human))	BDBM50501598 (CHEMBL4103372) Show SMILES CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3sc(NC4CCCC4)nc3C)nc2)CC1 Show InChI InChI=1S/C25H34N8S/c1-3-32-12-14-33(15-13-32)17-19-8-9-22(27-16-19)31-24-26-11-10-21(30-24)23-18(2)28-25(34-23)29-20-6-4-5-7-20/h8-11,16,20H,3-7,12-15,17H2,1-2H3,(H,28,29)(H,26,27,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK7/cyclin H (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50501598 (CHEMBL4103372) Show SMILES CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3sc(NC4CCCC4)nc3C)nc2)CC1 Show InChI InChI=1S/C25H34N8S/c1-3-32-12-14-33(15-13-32)17-19-8-9-22(27-16-19)31-24-26-11-10-21(30-24)23-18(2)28-25(34-23)29-20-6-4-5-7-20/h8-11,16,20H,3-7,12-15,17H2,1-2H3,(H,28,29)(H,26,27,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	416	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50501598 (CHEMBL4103372) Show SMILES CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3sc(NC4CCCC4)nc3C)nc2)CC1 Show InChI InChI=1S/C25H34N8S/c1-3-32-12-14-33(15-13-32)17-19-8-9-22(27-16-19)31-24-26-11-10-21(30-24)23-18(2)28-25(34-23)29-20-6-4-5-7-20/h8-11,16,20H,3-7,12-15,17H2,1-2H3,(H,28,29)(H,26,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50501598 (CHEMBL4103372) Show SMILES CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3sc(NC4CCCC4)nc3C)nc2)CC1 Show InChI InChI=1S/C25H34N8S/c1-3-32-12-14-33(15-13-32)17-19-8-9-22(27-16-19)31-24-26-11-10-21(30-24)23-18(2)28-25(34-23)29-20-6-4-5-7-20/h8-11,16,20H,3-7,12-15,17H2,1-2H3,(H,28,29)(H,26,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclin B (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay				J Med Chem 60: 1892-1915 (2017) Article DOI: 10.1021/acs.jmedchem.6b01670 BindingDB Entry DOI: 10.7270/Q29Z97XG
					More data for this Ligand-Target Pair