BDBM50235035 CHEMBL4066861

SMILES: CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12

InChI Key: InChIKey=JPJBCKSRGYPABG-JKSUJKDBSA-N

Data: 7 IC50  1 EC50

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 = 50235035   

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
CDK4/Cyclin D3 (Homo sapiens (Human))	BDBM50235035 (CHEMBL4066861) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 |r| Show InChI InChI=1S/C20H26ClN7/c1-12(2)28-11-23-17-18(24-14-7-5-6-13(21)10-14)26-20(27-19(17)28)25-16-9-4-3-8-15(16)22/h5-7,10-12,15-16H,3-4,8-9,22H2,1-2H3,(H2,24,25,26,27)/t15-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	541	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclinD3 using Histone H1 as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method				Bioorg Med Chem Lett 27: 406-412 (2017) Article DOI: 10.1016/j.bmcl.2016.12.056 BindingDB Entry DOI: 10.7270/Q27946ZF
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50235035 (CHEMBL4066861) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 |r| Show InChI InChI=1S/C20H26ClN7/c1-12(2)28-11-23-17-18(24-14-7-5-6-13(21)10-14)26-20(27-19(17)28)25-16-9-4-3-8-15(16)22/h5-7,10-12,15-16H,3-4,8-9,22H2,1-2H3,(H2,24,25,26,27)/t15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	674	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of human CDK1/cyclinB using Histone H1 as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method				Bioorg Med Chem Lett 27: 406-412 (2017) Article DOI: 10.1016/j.bmcl.2016.12.056 BindingDB Entry DOI: 10.7270/Q27946ZF
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4 (Homo sapiens (Human))	BDBM50235035 (CHEMBL4066861) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 |r| Show InChI InChI=1S/C20H26ClN7/c1-12(2)28-11-23-17-18(24-14-7-5-6-13(21)10-14)26-20(27-19(17)28)25-16-9-4-3-8-15(16)22/h5-7,10-12,15-16H,3-4,8-9,22H2,1-2H3,(H2,24,25,26,27)/t15-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of human CLK4 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method				Bioorg Med Chem Lett 27: 406-412 (2017) Article DOI: 10.1016/j.bmcl.2016.12.056 BindingDB Entry DOI: 10.7270/Q27946ZF
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4 (Homo sapiens (Human))	BDBM50235035 (CHEMBL4066861) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 |r| Show InChI InChI=1S/C20H26ClN7/c1-12(2)28-11-23-17-18(24-14-7-5-6-13(21)10-14)26-20(27-19(17)28)25-16-9-4-3-8-15(16)22/h5-7,10-12,15-16H,3-4,8-9,22H2,1-2H3,(H2,24,25,26,27)/t15-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of human CLK1 using substrate ERMRPRKRQGSVRRRV in presence of [gamma-33P]ATP after 40 mins by scintillation counter method				Bioorg Med Chem Lett 27: 406-412 (2017) Article DOI: 10.1016/j.bmcl.2016.12.056 BindingDB Entry DOI: 10.7270/Q27946ZF
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50235035 (CHEMBL4066861) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 |r| Show InChI InChI=1S/C20H26ClN7/c1-12(2)28-11-23-17-18(24-14-7-5-6-13(21)10-14)26-20(27-19(17)28)25-16-9-4-3-8-15(16)22/h5-7,10-12,15-16H,3-4,8-9,22H2,1-2H3,(H2,24,25,26,27)/t15-,16+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method				Bioorg Med Chem Lett 27: 406-412 (2017) Article DOI: 10.1016/j.bmcl.2016.12.056 BindingDB Entry DOI: 10.7270/Q27946ZF
					More data for this Ligand-Target Pair
CDK6/CycD3 (Homo sapiens (Human))	BDBM50235035 (CHEMBL4066861) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 |r| Show InChI InChI=1S/C20H26ClN7/c1-12(2)28-11-23-17-18(24-14-7-5-6-13(21)10-14)26-20(27-19(17)28)25-16-9-4-3-8-15(16)22/h5-7,10-12,15-16H,3-4,8-9,22H2,1-2H3,(H2,24,25,26,27)/t15-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclinD3 using Histone H1 as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method				Bioorg Med Chem Lett 27: 406-412 (2017) Article DOI: 10.1016/j.bmcl.2016.12.056 BindingDB Entry DOI: 10.7270/Q27946ZF
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Homo sapiens (Human))	BDBM50235035 (CHEMBL4066861) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 |r| Show InChI InChI=1S/C20H26ClN7/c1-12(2)28-11-23-17-18(24-14-7-5-6-13(21)10-14)26-20(27-19(17)28)25-16-9-4-3-8-15(16)22/h5-7,10-12,15-16H,3-4,8-9,22H2,1-2H3,(H2,24,25,26,27)/t15-,16+/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of human CLK3 using ERMRPRKRQGSVRRRV as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method				Bioorg Med Chem Lett 27: 406-412 (2017) Article DOI: 10.1016/j.bmcl.2016.12.056 BindingDB Entry DOI: 10.7270/Q27946ZF
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4 (Homo sapiens (Human))	BDBM50235035 (CHEMBL4066861) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 |r| Show InChI InChI=1S/C20H26ClN7/c1-12(2)28-11-23-17-18(24-14-7-5-6-13(21)10-14)26-20(27-19(17)28)25-16-9-4-3-8-15(16)22/h5-7,10-12,15-16H,3-4,8-9,22H2,1-2H3,(H2,24,25,26,27)/t15-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of CLK mediated SF3B1 activation in human SK-MEL-2 cells assessed as MDM2-pre mRNA exon skipping after 4 hrs by luciferase reporter gene a...				Bioorg Med Chem Lett 27: 406-412 (2017) Article DOI: 10.1016/j.bmcl.2016.12.056 BindingDB Entry DOI: 10.7270/Q27946ZF
					More data for this Ligand-Target Pair