BDBM181050 3A5

SMILES: Cc1nc2ccc3sc(NC(=O)c4ccc5ncsc5c4)nc3c2s1

InChI Key: InChIKey=MXRBAJVBWGVZJI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 181050   

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))	BDBM181050 (3A5) Show SMILES Cc1nc2ccc3sc(NC(=O)c4ccc5ncsc5c4)nc3c2s1 Show InChI InChI=1S/C17H10N4OS3/c1-8-19-11-4-5-12-14(15(11)24-8)20-17(25-12)21-16(22)9-2-3-10-13(6-9)23-7-18-10/h2-7H,1H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	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))	BDBM181050 (3A5) Show SMILES Cc1nc2ccc3sc(NC(=O)c4ccc5ncsc5c4)nc3c2s1 Show InChI InChI=1S/C17H10N4OS3/c1-8-19-11-4-5-12-14(15(11)24-8)20-17(25-12)21-16(22)9-2-3-10-13(6-9)23-7-18-10/h2-7H,1H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	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 CLK3 (Homo sapiens (Human))	BDBM181050 (3A5) Show SMILES Cc1nc2ccc3sc(NC(=O)c4ccc5ncsc5c4)nc3c2s1 Show InChI InChI=1S/C17H10N4OS3/c1-8-19-11-4-5-12-14(15(11)24-8)20-17(25-12)21-16(22)9-2-3-10-13(6-9)23-7-18-10/h2-7H,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	346	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))	BDBM181050 (3A5) Show SMILES Cc1nc2ccc3sc(NC(=O)c4ccc5ncsc5c4)nc3c2s1 Show InChI InChI=1S/C17H10N4OS3/c1-8-19-11-4-5-12-14(15(11)24-8)20-17(25-12)21-16(22)9-2-3-10-13(6-9)23-7-18-10/h2-7H,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	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