BDBM50525160 CHEMBL4522230

SMILES: Cc1ccccc1Nc1ncc2CCCCc2n1

InChI Key: InChIKey=GXNCJJUXJCUZSD-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50525160   

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 5 (CDK5) (Homo sapiens (Human))	BDBM50525160 (CHEMBL4522230) Show SMILES Cc1ccccc1Nc1ncc2CCCCc2n1 Show InChI InChI=1S/C15H17N3/c1-11-6-2-4-8-13(11)17-15-16-10-12-7-3-5-9-14(12)18-15/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,16,17,18)	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	990	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 recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...				ACS Med Chem Lett 10: 786-791 (2019) Article DOI: 10.1021/acsmedchemlett.9b00029
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50525160 (CHEMBL4522230) Show SMILES Cc1ccccc1Nc1ncc2CCCCc2n1 Show InChI InChI=1S/C15H17N3/c1-11-6-2-4-8-13(11)17-15-16-10-12-7-3-5-9-14(12)18-15/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,16,17,18)	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	4.12E+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 recombinant full length N-terminal GST tagged human CDK2/CyclinA expressed in baculovirus infected sf9 cells using histone H1 as substr...				ACS Med Chem Lett 10: 786-791 (2019) Article DOI: 10.1021/acsmedchemlett.9b00029
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM50525160 (CHEMBL4522230) Show SMILES Cc1ccccc1Nc1ncc2CCCCc2n1 Show InChI InChI=1S/C15H17N3/c1-11-6-2-4-8-13(11)17-15-16-10-12-7-3-5-9-14(12)18-15/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,16,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 CDK2/Cyclin E (unknown origin) incubated for 30 to 120 mins in presence of ATP by ADP-Glo kinase assay				ACS Med Chem Lett 10: 786-791 (2019) Article DOI: 10.1021/acsmedchemlett.9b00029
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50525160 (CHEMBL4522230) Show SMILES Cc1ccccc1Nc1ncc2CCCCc2n1 Show InChI InChI=1S/C15H17N3/c1-11-6-2-4-8-13(11)17-15-16-10-12-7-3-5-9-14(12)18-15/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD 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 human recombinant full length N-terminal GST His6 fused CDK9 (M1 to F372 residues/ N-terminal His6 tagged Cyclin T1 (M1 to K726 residue...				ACS Med Chem Lett 10: 786-791 (2019) Article DOI: 10.1021/acsmedchemlett.9b00029
					More data for this Ligand-Target Pair
CDK7/Cyclin H/MNAT1 (Homo sapiens (Human))	BDBM50525160 (CHEMBL4522230) Show SMILES Cc1ccccc1Nc1ncc2CCCCc2n1 Show InChI InChI=1S/C15H17N3/c1-11-6-2-4-8-13(11)17-15-16-10-12-7-3-5-9-14(12)18-15/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,16,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 CDK7/cyclinH/MAT1 (unknown origin) using RBER-IRStide as substrate incubated for 120 mins in presence of ATP by ADP-Glo kinase assay				ACS Med Chem Lett 10: 786-791 (2019) Article DOI: 10.1021/acsmedchemlett.9b00029
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM50525160 (CHEMBL4522230) Show SMILES Cc1ccccc1Nc1ncc2CCCCc2n1 Show InChI InChI=1S/C15H17N3/c1-11-6-2-4-8-13(11)17-15-16-10-12-7-3-5-9-14(12)18-15/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,16,17,18)	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	>5.00E+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 human recombinant N-terminal GST-tagged CDK4 (S4-E303 residues)/Cyclin D1 (Q4-I295 residues) expressed in sf9 cells using RB-CTF as sub...				ACS Med Chem Lett 10: 786-791 (2019) Article DOI: 10.1021/acsmedchemlett.9b00029
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50525160 (CHEMBL4522230) Show SMILES Cc1ccccc1Nc1ncc2CCCCc2n1 Show InChI InChI=1S/C15H17N3/c1-11-6-2-4-8-13(11)17-15-16-10-12-7-3-5-9-14(12)18-15/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,16,17,18)	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/CyclinB1 (unknown origin) using histone H1 (GGGPATPKKAKKL) as substrate incubated for 80 mins in presence of ATP by ADP-Glo kinase...				ACS Med Chem Lett 10: 786-791 (2019) Article DOI: 10.1021/acsmedchemlett.9b00029
					More data for this Ligand-Target Pair
CDK6/CycD3 (Homo sapiens (Human))	BDBM50525160 (CHEMBL4522230) Show SMILES Cc1ccccc1Nc1ncc2CCCCc2n1 Show InChI InChI=1S/C15H17N3/c1-11-6-2-4-8-13(11)17-15-16-10-12-7-3-5-9-14(12)18-15/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,16,17,18)	PDB UniProtKB/SwissProt 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 human recombinant N-terminal GST-tagged CDK6 (M1-A326 residues) and His6 tagged Cyclin D3 (M1-L292 residues) expressed in sf9 cells usi...				ACS Med Chem Lett 10: 786-791 (2019) Article DOI: 10.1021/acsmedchemlett.9b00029
					More data for this Ligand-Target Pair