BDBM50146025 CHEMBL3765517

SMILES: CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O

InChI Key: InChIKey=YUYFNYPOTZWGKF-LBPRGKRZSA-N

Data: 5 IC50

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 5 hits for monomerid = 50146025   

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 JAK3 (Homo sapiens (Human))	BDBM50146025 (CHEMBL3765517) Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C19H27N7O3S/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-30(28,29)8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...				J Med Chem 59: 733-49 (2016) BindingDB Entry DOI: 10.7270/Q2057HSH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50146025 (CHEMBL3765517) Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C19H27N7O3S/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-30(28,29)8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...				J Med Chem 59: 733-49 (2016) BindingDB Entry DOI: 10.7270/Q2057HSH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50146025 (CHEMBL3765517) Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C19H27N7O3S/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-30(28,29)8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...				J Med Chem 59: 733-49 (2016) BindingDB Entry DOI: 10.7270/Q2057HSH
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50146025 (CHEMBL3765517) Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C19H27N7O3S/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-30(28,29)8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TYK2 in human Jurkat cells assessed as reduction in IL-23-induced luciferase gene expression after 24 hrs				J Med Chem 59: 733-49 (2016) BindingDB Entry DOI: 10.7270/Q2057HSH
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50146025 (CHEMBL3765517) Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O |r| Show InChI InChI=1S/C19H27N7O3S/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-30(28,29)8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...				J Med Chem 59: 733-49 (2016) BindingDB Entry DOI: 10.7270/Q2057HSH
					More data for this Ligand-Target Pair