BDBM50391982 CHEMBL2152418

SMILES: CC(C)C(=O)N[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12

InChI Key: InChIKey=FOURWUKVPBQWMJ-JOCQHMNTSA-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 = 50391982   

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))	BDBM50391982 (CHEMBL2152418) Show SMILES CC(C)C(=O)N[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:6.5,wD:9.12,(36.92,-7.95,;35.39,-7.94,;34.62,-6.6,;34.61,-9.27,;35.37,-10.61,;33.07,-9.26,;32.29,-10.58,;33.05,-11.92,;32.27,-13.25,;30.73,-13.24,;29.96,-11.91,;30.75,-10.58,;29.96,-14.57,;28.44,-14.41,;27.82,-15.81,;28.95,-16.83,;28.95,-18.38,;30.29,-19.15,;31.62,-18.37,;33.09,-18.85,;33.99,-17.6,;33.09,-16.35,;31.62,-16.83,;30.28,-16.07,)| Show InChI InChI=1S/C18H23N5O/c1-11(2)18(24)22-12-3-5-13(6-4-12)23-10-21-15-9-20-17-14(16(15)23)7-8-19-17/h7-13H,3-6H2,1-2H3,(H,19,20)(H,22,24)/t12-,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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))	BDBM50391982 (CHEMBL2152418) Show SMILES CC(C)C(=O)N[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:6.5,wD:9.12,(36.92,-7.95,;35.39,-7.94,;34.62,-6.6,;34.61,-9.27,;35.37,-10.61,;33.07,-9.26,;32.29,-10.58,;33.05,-11.92,;32.27,-13.25,;30.73,-13.24,;29.96,-11.91,;30.75,-10.58,;29.96,-14.57,;28.44,-14.41,;27.82,-15.81,;28.95,-16.83,;28.95,-18.38,;30.29,-19.15,;31.62,-18.37,;33.09,-18.85,;33.99,-17.6,;33.09,-16.35,;31.62,-16.83,;30.28,-16.07,)| Show InChI InChI=1S/C18H23N5O/c1-11(2)18(24)22-12-3-5-13(6-4-12)23-10-21-15-9-20-17-14(16(15)23)7-8-19-17/h7-13H,3-6H2,1-2H3,(H,19,20)(H,22,24)/t12-,13-	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	410	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