BDBM50261220 CHEMBL4089568

SMILES: Cn1c(nc2ccnc(NC(=O)C3CC3)c12)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=KWHKELQTXFZQSZ-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 = 50261220   

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))	BDBM50261220 (CHEMBL4089568) Show SMILES Cn1c(nc2ccnc(NC(=O)C3CC3)c12)-c1c(Cl)cccc1Cl |(32.02,-38.74,;31.5,-40.19,;32.37,-41.46,;31.43,-42.68,;29.98,-42.16,;28.63,-42.89,;27.31,-42.09,;27.36,-40.55,;28.71,-39.82,;28.76,-38.28,;27.45,-37.47,;27.49,-35.93,;26.09,-38.2,;25.28,-39.51,;24.55,-38.16,;30.02,-40.62,;33.91,-41.51,;34.64,-42.86,;33.83,-44.17,;36.18,-42.91,;36.99,-41.59,;36.26,-40.24,;34.72,-40.19,;33.99,-38.84,)| Show InChI InChI=1S/C17H14Cl2N4O/c1-23-14-12(7-8-20-15(14)22-17(24)9-5-6-9)21-16(23)13-10(18)3-2-4-11(13)19/h2-4,7-9H,5-6H2,1H3,(H,20,22,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	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))	BDBM50261220 (CHEMBL4089568) Show SMILES Cn1c(nc2ccnc(NC(=O)C3CC3)c12)-c1c(Cl)cccc1Cl |(32.02,-38.74,;31.5,-40.19,;32.37,-41.46,;31.43,-42.68,;29.98,-42.16,;28.63,-42.89,;27.31,-42.09,;27.36,-40.55,;28.71,-39.82,;28.76,-38.28,;27.45,-37.47,;27.49,-35.93,;26.09,-38.2,;25.28,-39.51,;24.55,-38.16,;30.02,-40.62,;33.91,-41.51,;34.64,-42.86,;33.83,-44.17,;36.18,-42.91,;36.99,-41.59,;36.26,-40.24,;34.72,-40.19,;33.99,-38.84,)| Show InChI InChI=1S/C17H14Cl2N4O/c1-23-14-12(7-8-20-15(14)22-17(24)9-5-6-9)21-16(23)13-10(18)3-2-4-11(13)19/h2-4,7-9H,5-6H2,1H3,(H,20,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	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