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SMILES: Clc1cnc2[nH]cc(-c3ccccc3)c2c1

InChI Key: InChIKey=BEGKFGVLOHUTSZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50300198   

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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50300198 (5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine | CHEM...) Show SMILES Clc1cnc2[nH]cc(-c3ccccc3)c2c1 Show InChI InChI=1S/C13H9ClN2/c14-10-6-11-12(8-16-13(11)15-7-10)9-4-2-1-3-5-9/h1-8H,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 by radiometric assay				Bioorg Med Chem Lett 20: 153-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.021 BindingDB Entry DOI: 10.7270/Q2PN95RQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50300198 (5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine | CHEM...) Show SMILES Clc1cnc2[nH]cc(-c3ccccc3)c2c1 Show InChI InChI=1S/C13H9ClN2/c14-10-6-11-12(8-16-13(11)15-7-10)9-4-2-1-3-5-9/h1-8H,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2				J Med Chem 52: 7938-41 (2009) Checked by Author Article DOI: 10.1021/jm901383u BindingDB Entry DOI: 10.7270/Q2GF0TK0
					More data for this Ligand-Target Pair