BDBM50148459 CHEMBL3769688

SMILES: COc1ccc(cc1OC)-c1cn(C)c(=O)c2cc(sc12)C(=O)NC1CCS(=O)(=O)CC1

InChI Key: InChIKey=ZJDRXPZROJHILR-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 2 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 2 hits for monomerid = 50148459   

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 tyrosine-(Y)-phosphorylation regulated kinase 1A (RAT)	BDBM50148459 (CHEMBL4755373) Show SMILES COc1ccc(cc1OC)-c1cn(C)c(=O)c2cc(sc12)C(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C22H24N2O6S2/c1-24-12-16(13-4-5-17(29-2)18(10-13)30-3)20-15(22(24)26)11-19(31-20)21(25)23-14-6-8-32(27,28)9-7-14/h4-5,10-12,14H,6-9H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars		n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50148459 (CHEMBL4755373) Show SMILES COc1ccc(cc1OC)-c1cn(C)c(=O)c2cc(sc12)C(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C22H24N2O6S2/c1-24-12-16(13-4-5-17(29-2)18(10-13)30-3)20-15(22(24)26)11-19(31-20)21(25)23-14-6-8-32(27,28)9-7-14/h4-5,10-12,14H,6-9H2,1-3H3,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars		n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl				Citation and Details
					More data for this Ligand-Target Pair