BDBM50526792 CHEMBL4454044

SMILES: CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12

InChI Key: InChIKey=JYPAWUMVEPMZMD-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50526792   

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 2 (Homo sapiens (Human))	BDBM50526792 (CHEMBL4454044) Show SMILES CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12 Show InChI InChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50526792 (CHEMBL4454044) Show SMILES CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12 Show InChI InChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50526792 (CHEMBL4454044) Show SMILES CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12 Show InChI InChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526792 (CHEMBL4454044) Show SMILES CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12 Show InChI InChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				J Med Chem 63: 7458-7474 (2020)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526792 (CHEMBL4454044) Show SMILES CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12 Show InChI InChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50526792 (CHEMBL4454044) Show SMILES CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12 Show InChI InChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM50526792 (CHEMBL4454044) Show SMILES CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12 Show InChI InChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese American University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf21 insect cells in presence of [gamma33P]ATP				J Med Chem 63: 7458-7474 (2020)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50526792 (CHEMBL4454044) Show SMILES CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12 Show InChI InChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK6 (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641
					More data for this Ligand-Target Pair