BDBM50008396 CHEMBL3235533

SMILES: O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1

InChI Key: InChIKey=GYQWKTIZRYVFEM-UHFFFAOYSA-N

Data: 1 IC50  2 Kd

PDB links: 1 PDB ID matches 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 3 hits for monomerid = 50008396   

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
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50008396 (CHEMBL3235533) Show SMILES O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1 Show InChI InChI=1S/C22H18N2OS/c25-21(24-22-23-19-13-7-8-14-20(19)26-22)15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,24,25)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay				J Med Chem 57: 2755-72 (2014) Article DOI: 10.1021/jm500065f BindingDB Entry DOI: 10.7270/Q21N82NV
					More data for this Ligand-Target Pair
Neuronal calcium sensor 1 (Homo sapiens)	BDBM50008396 (CHEMBL3235533) Show SMILES O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1 Show InChI InChI=1S/C22H18N2OS/c25-21(24-22-23-19-13-7-8-14-20(19)26-22)15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a
Biological Research Center Curated by ChEMBL					Assay Description Binding affinity to human NCS1 expressed in Escherichia coli BL21 Star (DE3) by fluorescence emission assay				J Med Chem 61: 5910-5921 (2018) Article DOI: 10.1021/acs.jmedchem.8b00088 BindingDB Entry DOI: 10.7270/Q2WS8WSQ
					More data for this Ligand-Target Pair
Frequenin 2, isoform D (Drosophila melanogaster)	BDBM50008396 (CHEMBL3235533) Show SMILES O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1 Show InChI InChI=1S/C22H18N2OS/c25-21(24-22-23-19-13-7-8-14-20(19)26-22)15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a
Biological Research Center Curated by ChEMBL					Assay Description Binding affinity to drosophila NCS1 expressed in Escherichia coli BL21 (DE3) by fluorescence emission assay				J Med Chem 61: 5910-5921 (2018) Article DOI: 10.1021/acs.jmedchem.8b00088 BindingDB Entry DOI: 10.7270/Q2WS8WSQ
					More data for this Ligand-Target Pair				3D Structure (crystal)