Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 194.2 BDBM50022257Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 19 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	211	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity protein kinase CLK3 (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 3 (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	5.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	7.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 4 (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...				J Med Chem 57: 5129-40 (2014) Article DOI: 10.1021/jm401986p BindingDB Entry DOI: 10.7270/Q2833TKT
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Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a
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Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
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Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50022257 (CHEMBL3298236) Show SMILES c1n[nH]c2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a
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