BDBM50501593 CHEMBL4095884

SMILES: CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1

InChI Key: InChIKey=QRNHMYCAPGHBKI-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 = 50501593   

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))	BDBM50501593 (CHEMBL4095884) Show SMILES CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C20H26N8S/c1-13(2)24-20-25-14(3)18(29-20)16-6-7-22-19(26-16)27-17-5-4-15(12-23-17)28-10-8-21-9-11-28/h4-7,12-13,21H,8-11H2,1-3H3,(H,24,25)(H,22,23,26,27)	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	5	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))	BDBM50501593 (CHEMBL4095884) Show SMILES CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C20H26N8S/c1-13(2)24-20-25-14(3)18(29-20)16-6-7-22-19(26-16)27-17-5-4-15(12-23-17)28-10-8-21-9-11-28/h4-7,12-13,21H,8-11H2,1-3H3,(H,24,25)(H,22,23,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	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 2 (CDK2) (Homo sapiens (Human))	BDBM50501593 (CHEMBL4095884) Show SMILES CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C20H26N8S/c1-13(2)24-20-25-14(3)18(29-20)16-6-7-22-19(26-16)27-17-5-4-15(12-23-17)28-10-8-21-9-11-28/h4-7,12-13,21H,8-11H2,1-3H3,(H,24,25)(H,22,23,26,27)	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	240	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 7 (CDK7) (Homo sapiens (Human))	BDBM50501593 (CHEMBL4095884) Show SMILES CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C20H26N8S/c1-13(2)24-20-25-14(3)18(29-20)16-6-7-22-19(26-16)27-17-5-4-15(12-23-17)28-10-8-21-9-11-28/h4-7,12-13,21H,8-11H2,1-3H3,(H,24,25)(H,22,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	775	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 9 (CDK9) (Homo sapiens (Human))	BDBM50501593 (CHEMBL4095884) Show SMILES CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C20H26N8S/c1-13(2)24-20-25-14(3)18(29-20)16-6-7-22-19(26-16)27-17-5-4-15(12-23-17)28-10-8-21-9-11-28/h4-7,12-13,21H,8-11H2,1-3H3,(H,24,25)(H,22,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.42E+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))	BDBM50501593 (CHEMBL4095884) Show SMILES CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1 Show InChI InChI=1S/C20H26N8S/c1-13(2)24-20-25-14(3)18(29-20)16-6-7-22-19(26-16)27-17-5-4-15(12-23-17)28-10-8-21-9-11-28/h4-7,12-13,21H,8-11H2,1-3H3,(H,24,25)(H,22,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.14E+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