BDBM50400749 CHEMBL2203555

SMILES: COc1cnc(NCc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1

InChI Key: InChIKey=VUVUREKZWANTPW-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 = 50400749   

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 alpha (Homo sapiens (Human))	BDBM50400749 (CHEMBL2203555) Show SMILES COc1cnc(NCc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1 Show InChI InChI=1S/C19H19N5O2/c1-26-16-11-22-19(21-10-12-5-3-2-4-6-12)24-17(16)15-9-13-14(23-15)7-8-20-18(13)25/h2-6,9,11,23H,7-8,10H2,1H3,(H,20,25)(H,21,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP				ACS Med Chem Lett 3: 1059-1064 (2012) Article DOI: 10.1021/ml300278f BindingDB Entry DOI: 10.7270/Q21V5G41
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50400749 (CHEMBL2203555) Show SMILES COc1cnc(NCc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1 Show InChI InChI=1S/C19H19N5O2/c1-26-16-11-22-19(21-10-12-5-3-2-4-6-12)24-17(16)15-9-13-14(23-15)7-8-20-18(13)25/h2-6,9,11,23H,7-8,10H2,1H3,(H,20,25)(H,21,22,24)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP				ACS Med Chem Lett 3: 1059-1064 (2012) Article DOI: 10.1021/ml300278f BindingDB Entry DOI: 10.7270/Q21V5G41
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50400749 (CHEMBL2203555) Show SMILES COc1cnc(NCc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1 Show InChI InChI=1S/C19H19N5O2/c1-26-16-11-22-19(21-10-12-5-3-2-4-6-12)24-17(16)15-9-13-14(23-15)7-8-20-18(13)25/h2-6,9,11,23H,7-8,10H2,1H3,(H,20,25)(H,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of GSK3beta				ACS Med Chem Lett 3: 1059-1064 (2012) Article DOI: 10.1021/ml300278f BindingDB Entry DOI: 10.7270/Q21V5G41
					More data for this Ligand-Target Pair
Casein kinase I (Homo sapiens (Human))	BDBM50400749 (CHEMBL2203555) Show SMILES COc1cnc(NCc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1 Show InChI InChI=1S/C19H19N5O2/c1-26-16-11-22-19(21-10-12-5-3-2-4-6-12)24-17(16)15-9-13-14(23-15)7-8-20-18(13)25/h2-6,9,11,23H,7-8,10H2,1H3,(H,20,25)(H,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP				ACS Med Chem Lett 3: 1059-1064 (2012) Article DOI: 10.1021/ml300278f BindingDB Entry DOI: 10.7270/Q21V5G41
					More data for this Ligand-Target Pair