BDBM50097863 CHEMBL3589674

SMILES: COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1

InChI Key: InChIKey=VCFPJHJKTXRDGD-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50097863   

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 (Mus musculus)	BDBM50097863 (CHEMBL3589674) Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1 Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Mus musculus)	BDBM50097863 (CHEMBL3589674) Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1 Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK2 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Mus musculus)	BDBM50097863 (CHEMBL3589674) Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1 Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK3 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Mus musculus)	BDBM50097863 (CHEMBL3589674) Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1 Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B (Homo sapiens (Human))	BDBM50097863 (CHEMBL3589674) Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1 Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1B expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50097863 (CHEMBL3589674) Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1 Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2 (Homo sapiens (Human))	BDBM50097863 (CHEMBL3589674) Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1 Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 3 (Homo sapiens (Human))	BDBM50097863 (CHEMBL3589674) Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1 Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK3 expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50097863 (CHEMBL3589674) Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1 Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK2 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM50097863 (CHEMBL3589674) Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1 Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50097863 (CHEMBL3589674) Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1 Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK9 expressed in insect cells using CDK7/9 tide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair