BDBM50526615 CHEMBL4434711

SMILES: CNc1cc(Nc2cccn(-c3ccc(cc3)C(C)(C)O)c2=O)nn2c(cnc12)C(=O)NC1CC1

InChI Key: InChIKey=FKURSURYDXYTQC-UHFFFAOYSA-N

Data: 3 KI

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 = 50526615   

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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526615 (CHEMBL4434711) Show SMILES CNc1cc(Nc2cccn(-c3ccc(cc3)C(C)(C)O)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C25H27N7O3/c1-25(2,35)15-6-10-17(11-7-15)31-12-4-5-18(24(31)34)29-21-13-19(26-3)22-27-14-20(32(22)30-21)23(33)28-16-8-9-16/h4-7,10-14,16,26,35H,8-9H2,1-3H3,(H,28,33)(H,29,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526615 (CHEMBL4434711) Show SMILES CNc1cc(Nc2cccn(-c3ccc(cc3)C(C)(C)O)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C25H27N7O3/c1-25(2,35)15-6-10-17(11-7-15)31-12-4-5-18(24(31)34)29-21-13-19(26-3)22-27-14-20(32(22)30-21)23(33)28-16-8-9-16/h4-7,10-14,16,26,35H,8-9H2,1-3H3,(H,28,33)(H,29,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of TYK2 JH2 domain in IFNalpha/IL23-stimulated human Kit225 cells by luciferase reporter assay				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50526615 (CHEMBL4434711) Show SMILES CNc1cc(Nc2cccn(-c3ccc(cc3)C(C)(C)O)c2=O)nn2c(cnc12)C(=O)NC1CC1 Show InChI InChI=1S/C25H27N7O3/c1-25(2,35)15-6-10-17(11-7-15)31-12-4-5-18(24(31)34)29-21-13-19(26-3)22-27-14-20(32(22)30-21)23(33)28-16-8-9-16/h4-7,10-14,16,26,35H,8-9H2,1-3H3,(H,28,33)(H,29,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	811	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of TYK2 JH2 domain in human whole blood assessed as decrease in IFNalpha/IL2-induced STAT phosphorylation preincubated for 1 hr followed b...				ACS Med Chem Lett 10: 383-388 (2019) Article DOI: 10.1021/acsmedchemlett.9b00035
					More data for this Ligand-Target Pair