BDBM50261253 CHEMBL4100889

SMILES: Clc1cccc(Cl)c1-n1cc2c(NC(=O)C3CC3)nccc2n1

InChI Key: InChIKey=LWYNDDAUIAEHOA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50261253   

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))	BDBM50261253 (CHEMBL4100889) Show SMILES Clc1cccc(Cl)c1-n1cc2c(NC(=O)C3CC3)nccc2n1 Show InChI InChI=1S/C16H12Cl2N4O/c17-11-2-1-3-12(18)14(11)22-8-10-13(21-22)6-7-19-15(10)20-16(23)9-4-5-9/h1-3,6-9H,4-5H2,(H,19,20,23)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50261253 (CHEMBL4100889) Show SMILES Clc1cccc(Cl)c1-n1cc2c(NC(=O)C3CC3)nccc2n1 Show InChI InChI=1S/C16H12Cl2N4O/c17-11-2-1-3-12(18)14(11)22-8-10-13(21-22)6-7-19-15(10)20-16(23)9-4-5-9/h1-3,6-9H,4-5H2,(H,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) by biochemical assay				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair