BDBM50235031 CHEMBL4064123

SMILES: CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc12

InChI Key: InChIKey=DLDXMINZRQNSDI-AWEZNQCLSA-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 = 50235031   

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
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50235031 (CHEMBL4064123) Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc12 |r| Show InChI InChI=1S/C19H25ClN8/c1-11(2)28-10-23-16-17(24-15-7-12(20)6-13(21)8-15)26-19(27-18(16)28)25-14-4-3-5-22-9-14/h6-8,10-11,14,22H,3-5,9,21H2,1-2H3,(H2,24,25,26,27)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	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 CLK4 (Homo sapiens (Human))	BDBM50235031 (CHEMBL4064123) Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc12 |r| Show InChI InChI=1S/C19H25ClN8/c1-11(2)28-10-23-16-17(24-15-7-12(20)6-13(21)8-15)26-19(27-18(16)28)25-14-4-3-5-22-9-14/h6-8,10-11,14,22H,3-5,9,21H2,1-2H3,(H2,24,25,26,27)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	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 (Homo sapiens (Human))	BDBM50235031 (CHEMBL4064123) Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc12 |r| Show InChI InChI=1S/C19H25ClN8/c1-11(2)28-10-23-16-17(24-15-7-12(20)6-13(21)8-15)26-19(27-18(16)28)25-14-4-3-5-22-9-14/h6-8,10-11,14,22H,3-5,9,21H2,1-2H3,(H2,24,25,26,27)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.29E+4	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
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50235031 (CHEMBL4064123) Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc12 |r| Show InChI InChI=1S/C19H25ClN8/c1-11(2)28-10-23-16-17(24-15-7-12(20)6-13(21)8-15)26-19(27-18(16)28)25-14-4-3-5-22-9-14/h6-8,10-11,14,22H,3-5,9,21H2,1-2H3,(H2,24,25,26,27)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50235031 (CHEMBL4064123) Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc12 |r| Show InChI InChI=1S/C19H25ClN8/c1-11(2)28-10-23-16-17(24-15-7-12(20)6-13(21)8-15)26-19(27-18(16)28)25-14-4-3-5-22-9-14/h6-8,10-11,14,22H,3-5,9,21H2,1-2H3,(H2,24,25,26,27)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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 CLK2 (Homo sapiens (Human))	BDBM50235031 (CHEMBL4064123) Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc12 |r| Show InChI InChI=1S/C19H25ClN8/c1-11(2)28-10-23-16-17(24-15-7-12(20)6-13(21)8-15)26-19(27-18(16)28)25-14-4-3-5-22-9-14/h6-8,10-11,14,22H,3-5,9,21H2,1-2H3,(H2,24,25,26,27)/t14-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	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
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50235031 (CHEMBL4064123) Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc12 |r| Show InChI InChI=1S/C19H25ClN8/c1-11(2)28-10-23-16-17(24-15-7-12(20)6-13(21)8-15)26-19(27-18(16)28)25-14-4-3-5-22-9-14/h6-8,10-11,14,22H,3-5,9,21H2,1-2H3,(H2,24,25,26,27)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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
Dual specificity protein kinase CLK3 (Homo sapiens (Human))	BDBM50235031 (CHEMBL4064123) Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc12 |r| Show InChI InChI=1S/C19H25ClN8/c1-11(2)28-10-23-16-17(24-15-7-12(20)6-13(21)8-15)26-19(27-18(16)28)25-14-4-3-5-22-9-14/h6-8,10-11,14,22H,3-5,9,21H2,1-2H3,(H2,24,25,26,27)/t14-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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