BDBM50391980 CHEMBL2152416

SMILES: C1CN(CCO1)[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12

InChI Key: InChIKey=SCIMUCMVZURYLT-HDJSIYSDSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50391980   

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))	BDBM50391980 (CHEMBL2152416) Show SMILES C1CN(CCO1)[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:6.6,wD:9.13,(21.09,-7.72,;20.31,-9.04,;18.78,-9.02,;18.01,-7.69,;18.8,-6.37,;20.34,-6.38,;18,-10.35,;18.76,-11.69,;17.98,-13.01,;16.44,-13,;15.68,-11.67,;16.46,-10.34,;15.67,-14.33,;14.15,-14.18,;13.53,-15.57,;14.67,-16.6,;14.66,-18.14,;16,-18.91,;17.33,-18.13,;18.8,-18.61,;19.7,-17.36,;18.79,-16.11,;17.33,-16.59,;15.99,-15.83,)| Show InChI InChI=1S/C18H23N5O/c1-3-14(4-2-13(1)22-7-9-24-10-8-22)23-12-21-16-11-20-18-15(17(16)23)5-6-19-18/h5-6,11-14H,1-4,7-10H2,(H,19,20)/t13-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50391980 (CHEMBL2152416) Show SMILES C1CN(CCO1)[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:6.6,wD:9.13,(21.09,-7.72,;20.31,-9.04,;18.78,-9.02,;18.01,-7.69,;18.8,-6.37,;20.34,-6.38,;18,-10.35,;18.76,-11.69,;17.98,-13.01,;16.44,-13,;15.68,-11.67,;16.46,-10.34,;15.67,-14.33,;14.15,-14.18,;13.53,-15.57,;14.67,-16.6,;14.66,-18.14,;16,-18.91,;17.33,-18.13,;18.8,-18.61,;19.7,-17.36,;18.79,-16.11,;17.33,-16.59,;15.99,-15.83,)| Show InChI InChI=1S/C18H23N5O/c1-3-14(4-2-13(1)22-7-9-24-10-8-22)23-12-21-16-11-20-18-15(17(16)23)5-6-19-18/h5-6,11-14H,1-4,7-10H2,(H,19,20)/t13-,14-	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	180	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL2-induced STAT3 phosphorylation				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair