BDBM50439433 CHEMBL2420702

SMILES: CNCc1cc(ccn1)-c1cn(C)nc1-c1ccc(F)cc1

InChI Key: InChIKey=UEPOHWWKVBWCFV-UHFFFAOYSA-N

Data: 3 IC50

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 = 50439433   

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))	BDBM50439433 (CHEMBL2420702) Show SMILES CNCc1cc(ccn1)-c1cn(C)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H17FN4/c1-19-10-15-9-13(7-8-20-15)16-11-22(2)21-17(16)12-3-5-14(18)6-4-12/h3-9,11,19H,10H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human CK1 delta transfected in african green monkey cos7 cells after overnight incubation by whole cell assay				J Med Chem 56: 6819-28 (2013) Article DOI: 10.1021/jm4006324 BindingDB Entry DOI: 10.7270/Q2125V36
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50439433 (CHEMBL2420702) Show SMILES CNCc1cc(ccn1)-c1cn(C)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H17FN4/c1-19-10-15-9-13(7-8-20-15)16-11-22(2)21-17(16)12-3-5-14(18)6-4-12/h3-9,11,19H,10H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CK1 delta (unknown origin) using PLSRTLpSVASLPGL as substrate after 60 mins by microplate reader analysis				J Med Chem 56: 6819-28 (2013) Article DOI: 10.1021/jm4006324 BindingDB Entry DOI: 10.7270/Q2125V36
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50439433 (CHEMBL2420702) Show SMILES CNCc1cc(ccn1)-c1cn(C)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H17FN4/c1-19-10-15-9-13(7-8-20-15)16-11-22(2)21-17(16)12-3-5-14(18)6-4-12/h3-9,11,19H,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CK1 epsilon (unknown origin) using PLSRTLpSVASLPGL as substrate after 85 mins by microplate reader analysis				J Med Chem 56: 6819-28 (2013) Article DOI: 10.1021/jm4006324 BindingDB Entry DOI: 10.7270/Q2125V36
					More data for this Ligand-Target Pair				3D Structure (crystal)