BDBM181049 NR9

SMILES: O=C1N=C(NCc2cccs2)S\C1=C/c1ccc2ncccc2c1

InChI Key: InChIKey=XOLMRFUGOINFDQ-YBEGLDIGSA-N

Data: 4 IC50

PDB links: 6 PDB IDs match this monomer.

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 4 hits for monomerid = 181049   

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 specificty protein kinase CLK1 (Homo sapiens (Human))	BDBM181049 (NR9) Show SMILES O=C1N=C(NCc2cccs2)S\C1=C/c1ccc2ncccc2c1 |t:2| Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
University College London					Assay Description For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...				Biochemistry 55: 608-17 (2016) Article DOI: 10.1021/acs.biochem.5b01128 BindingDB Entry DOI: 10.7270/Q2N58K5J
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM181049 (NR9) Show SMILES O=C1N=C(NCc2cccs2)S\C1=C/c1ccc2ncccc2c1 |t:2| Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	596	n/a	n/a	n/a	n/a	n/a	n/a
University College London					Assay Description For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...				Biochemistry 55: 608-17 (2016) Article DOI: 10.1021/acs.biochem.5b01128 BindingDB Entry DOI: 10.7270/Q2N58K5J
					More data for this Ligand-Target Pair
CDC2-like kinase 3 (CLK3) (Homo sapiens (Human))	BDBM181049 (NR9) Show SMILES O=C1N=C(NCc2cccs2)S\C1=C/c1ccc2ncccc2c1 |t:2| Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-	PDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London					Assay Description For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...				Biochemistry 55: 608-17 (2016) Article DOI: 10.1021/acs.biochem.5b01128 BindingDB Entry DOI: 10.7270/Q2N58K5J
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM181049 (NR9) Show SMILES O=C1N=C(NCc2cccs2)S\C1=C/c1ccc2ncccc2c1 |t:2| Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	553	n/a	n/a	n/a	n/a	n/a	n/a
University College London					Assay Description For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...				Biochemistry 55: 608-17 (2016) Article DOI: 10.1021/acs.biochem.5b01128 BindingDB Entry DOI: 10.7270/Q2N58K5J
					More data for this Ligand-Target Pair