BDBM50391986 CHEMBL2152422

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

InChI Key: InChIKey=OCYXVFJMRUCGMA-XYPYZODXSA-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 = 50391986   

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))	BDBM50391986 (CHEMBL2152422) Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(11.6,-22.58,;10.82,-23.9,;12.15,-24.67,;10.82,-25.43,;9.28,-23.89,;8.5,-25.22,;9.26,-26.56,;8.49,-27.88,;6.95,-27.87,;6.18,-26.54,;6.96,-25.21,;6.18,-29.2,;4.65,-29.04,;4.03,-30.44,;5.17,-31.47,;5.17,-33.01,;6.5,-33.78,;7.84,-33,;9.3,-33.48,;10.21,-32.23,;9.3,-30.98,;7.84,-31.46,;6.5,-30.7,)| Show InChI InChI=1S/C15H19N5O2S/c1-23(21,22)19-10-2-4-11(5-3-10)20-9-18-13-8-17-15-12(14(13)20)6-7-16-15/h6-11,19H,2-5H2,1H3,(H,16,17)/t10-,11-	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	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))	BDBM50391986 (CHEMBL2152422) Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(11.6,-22.58,;10.82,-23.9,;12.15,-24.67,;10.82,-25.43,;9.28,-23.89,;8.5,-25.22,;9.26,-26.56,;8.49,-27.88,;6.95,-27.87,;6.18,-26.54,;6.96,-25.21,;6.18,-29.2,;4.65,-29.04,;4.03,-30.44,;5.17,-31.47,;5.17,-33.01,;6.5,-33.78,;7.84,-33,;9.3,-33.48,;10.21,-32.23,;9.3,-30.98,;7.84,-31.46,;6.5,-30.7,)| Show InChI InChI=1S/C15H19N5O2S/c1-23(21,22)19-10-2-4-11(5-3-10)20-9-18-13-8-17-15-12(14(13)20)6-7-16-15/h6-11,19H,2-5H2,1H3,(H,16,17)/t10-,11-	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	700	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