BDBM50393745 CHEMBL2159212

SMILES: Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@H](O)CC1

InChI Key: InChIKey=IFEXWCPEJGCTJO-PHIMTYICSA-N

Data: 2 KI  2 EC50

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 4 hits for monomerid = 50393745   

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 JAK1 (Homo sapiens (Human))	BDBM50393745 (CHEMBL2159212) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@H](O)CC1 |r,wD:16.19,13.15,(-3.95,-29.28,;-3.18,-30.61,;-3.8,-32.02,;-2.66,-33.05,;-2.66,-34.59,;-1.32,-35.35,;.01,-34.58,;1.48,-35.05,;2.38,-33.81,;1.47,-32.56,;.01,-33.04,;-1.33,-32.27,;-1.64,-30.77,;-.81,-29.48,;-1.51,-28.11,;-.66,-26.82,;.88,-26.9,;1.71,-25.61,;1.57,-28.27,;.73,-29.56,)| Show InChI InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(6-7-16-15)14(13)19(9)10-2-4-11(20)5-3-10/h6-8,10-11,20H,2-5H2,1H3,(H,16,17)/t10-,11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393745 (CHEMBL2159212) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@H](O)CC1 |r,wD:16.19,13.15,(-3.95,-29.28,;-3.18,-30.61,;-3.8,-32.02,;-2.66,-33.05,;-2.66,-34.59,;-1.32,-35.35,;.01,-34.58,;1.48,-35.05,;2.38,-33.81,;1.47,-32.56,;.01,-33.04,;-1.33,-32.27,;-1.64,-30.77,;-.81,-29.48,;-1.51,-28.11,;-.66,-26.82,;.88,-26.9,;1.71,-25.61,;1.57,-28.27,;.73,-29.56,)| Show InChI InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(6-7-16-15)14(13)19(9)10-2-4-11(20)5-3-10/h6-8,10-11,20H,2-5H2,1H3,(H,16,17)/t10-,11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393745 (CHEMBL2159212) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@H](O)CC1 |r,wD:16.19,13.15,(-3.95,-29.28,;-3.18,-30.61,;-3.8,-32.02,;-2.66,-33.05,;-2.66,-34.59,;-1.32,-35.35,;.01,-34.58,;1.48,-35.05,;2.38,-33.81,;1.47,-32.56,;.01,-33.04,;-1.33,-32.27,;-1.64,-30.77,;-.81,-29.48,;-1.51,-28.11,;-.66,-26.82,;.88,-26.9,;1.71,-25.61,;1.57,-28.27,;.73,-29.56,)| Show InChI InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(6-7-16-15)14(13)19(9)10-2-4-11(20)5-3-10/h6-8,10-11,20H,2-5H2,1H3,(H,16,17)/t10-,11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT5 phosphorylation incubated for 20 mins prior to EPO-induction measur...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393745 (CHEMBL2159212) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@H](O)CC1 |r,wD:16.19,13.15,(-3.95,-29.28,;-3.18,-30.61,;-3.8,-32.02,;-2.66,-33.05,;-2.66,-34.59,;-1.32,-35.35,;.01,-34.58,;1.48,-35.05,;2.38,-33.81,;1.47,-32.56,;.01,-33.04,;-1.33,-32.27,;-1.64,-30.77,;-.81,-29.48,;-1.51,-28.11,;-.66,-26.82,;.88,-26.9,;1.71,-25.61,;1.57,-28.27,;.73,-29.56,)| Show InChI InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(6-7-16-15)14(13)19(9)10-2-4-11(20)5-3-10/h6-8,10-11,20H,2-5H2,1H3,(H,16,17)/t10-,11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair