BDBM50361824 CHEMBL1938657

SMILES: CN(C)CCNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)S(=O)(=O)NC(C)(C)C

InChI Key: InChIKey=NBIYPVUMBLBZST-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50361824   

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))	BDBM50361824 (CHEMBL1938657) Show SMILES CN(C)CCNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C22H29N5O3S2/c1-22(2,3)26-32(29,30)15-8-6-14(7-9-15)18-12-16-19(31-18)17(13-25-20(16)23)21(28)24-10-11-27(4)5/h6-9,12-13,26H,10-11H2,1-5H3,(H2,23,25)(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-tagged JAK3 expressed in Sf9 cells using Biotin-LC-EQEDEPEGDYFEWLE as substrate after 90 mins by TR-FR...				J Med Chem 54: 8440-50 (2011) Article DOI: 10.1021/jm200911r BindingDB Entry DOI: 10.7270/Q22N52PG
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50361824 (CHEMBL1938657) Show SMILES CN(C)CCNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C22H29N5O3S2/c1-22(2,3)26-32(29,30)15-8-6-14(7-9-15)18-12-16-19(31-18)17(13-25-20(16)23)21(28)24-10-11-27(4)5/h6-9,12-13,26H,10-11H2,1-5H3,(H2,23,25)(H,24,28)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-tagged TYK2 expressed in Sf9 cells using Biotin-LC-EQEDEPEGDYFEWLE as substrate after 90 mins by TR-FR...				J Med Chem 54: 8440-50 (2011) Article DOI: 10.1021/jm200911r BindingDB Entry DOI: 10.7270/Q22N52PG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361824 (CHEMBL1938657) Show SMILES CN(C)CCNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C22H29N5O3S2/c1-22(2,3)26-32(29,30)15-8-6-14(7-9-15)18-12-16-19(31-18)17(13-25-20(16)23)21(28)24-10-11-27(4)5/h6-9,12-13,26H,10-11H2,1-5H3,(H2,23,25)(H,24,28)	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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of TEL-fused JAK2 expressed in Ba/F3 cells assessed as inhibition of STAT5 phosphorylation after 60 mins by AlphaScreen assay				J Med Chem 54: 8440-50 (2011) Article DOI: 10.1021/jm200911r BindingDB Entry DOI: 10.7270/Q22N52PG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50361824 (CHEMBL1938657) Show SMILES CN(C)CCNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C22H29N5O3S2/c1-22(2,3)26-32(29,30)15-8-6-14(7-9-15)18-12-16-19(31-18)17(13-25-20(16)23)21(28)24-10-11-27(4)5/h6-9,12-13,26H,10-11H2,1-5H3,(H2,23,25)(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of TEL-fused JAK3 expressed in Ba/F3 cells assessed as inhibition of STAT5 phosphorylation after 60 mins by AlphaScreen assay				J Med Chem 54: 8440-50 (2011) Article DOI: 10.1021/jm200911r BindingDB Entry DOI: 10.7270/Q22N52PG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361824 (CHEMBL1938657) Show SMILES CN(C)CCNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C22H29N5O3S2/c1-22(2,3)26-32(29,30)15-8-6-14(7-9-15)18-12-16-19(31-18)17(13-25-20(16)23)21(28)24-10-11-27(4)5/h6-9,12-13,26H,10-11H2,1-5H3,(H2,23,25)(H,24,28)	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	7.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 in human whole blood assessed as inhibition of TPO-stimulated STAT5 phosphorylation preincubated for 30 mins prior to TPO challeng...				J Med Chem 54: 8440-50 (2011) Article DOI: 10.1021/jm200911r BindingDB Entry DOI: 10.7270/Q22N52PG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361824 (CHEMBL1938657) Show SMILES CN(C)CCNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C22H29N5O3S2/c1-22(2,3)26-32(29,30)15-8-6-14(7-9-15)18-12-16-19(31-18)17(13-25-20(16)23)21(28)24-10-11-27(4)5/h6-9,12-13,26H,10-11H2,1-5H3,(H2,23,25)(H,24,28)	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	515	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 in human PBMC assessed as inhibition of TPO-stimulated STAT5 phosphorylation preincubated for 30 mins prior to TPO challenge measu...				J Med Chem 54: 8440-50 (2011) Article DOI: 10.1021/jm200911r BindingDB Entry DOI: 10.7270/Q22N52PG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50361824 (CHEMBL1938657) Show SMILES CN(C)CCNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C22H29N5O3S2/c1-22(2,3)26-32(29,30)15-8-6-14(7-9-15)18-12-16-19(31-18)17(13-25-20(16)23)21(28)24-10-11-27(4)5/h6-9,12-13,26H,10-11H2,1-5H3,(H2,23,25)(H,24,28)	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	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of TEL-fused JAK1 expressed in Ba/F3 cells assessed as inhibition of STAT5 phosphorylation after 60 mins by AlphaScreen assay				J Med Chem 54: 8440-50 (2011) Article DOI: 10.1021/jm200911r BindingDB Entry DOI: 10.7270/Q22N52PG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361824 (CHEMBL1938657) Show SMILES CN(C)CCNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C22H29N5O3S2/c1-22(2,3)26-32(29,30)15-8-6-14(7-9-15)18-12-16-19(31-18)17(13-25-20(16)23)21(28)24-10-11-27(4)5/h6-9,12-13,26H,10-11H2,1-5H3,(H2,23,25)(H,24,28)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-tagged JAK2 expressed in Sf9 cells using Biotin-LC-EQEDEPEGDYFEWLE as substrate after 90 mins by TR-FR...				J Med Chem 54: 8440-50 (2011) Article DOI: 10.1021/jm200911r BindingDB Entry DOI: 10.7270/Q22N52PG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50361824 (CHEMBL1938657) Show SMILES CN(C)CCNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C22H29N5O3S2/c1-22(2,3)26-32(29,30)15-8-6-14(7-9-15)18-12-16-19(31-18)17(13-25-20(16)23)21(28)24-10-11-27(4)5/h6-9,12-13,26H,10-11H2,1-5H3,(H2,23,25)(H,24,28)	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	708	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-tagged JAK1 expressed in Sf9 cells using Biotin-LC-EQEDEPEGDYFEWLE as substrate after 90 mins by TR-FR...				J Med Chem 54: 8440-50 (2011) Article DOI: 10.1021/jm200911r BindingDB Entry DOI: 10.7270/Q22N52PG
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50361824 (CHEMBL1938657) Show SMILES CN(C)CCNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C22H29N5O3S2/c1-22(2,3)26-32(29,30)15-8-6-14(7-9-15)18-12-16-19(31-18)17(13-25-20(16)23)21(28)24-10-11-27(4)5/h6-9,12-13,26H,10-11H2,1-5H3,(H2,23,25)(H,24,28)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of TEL-fused TYK2 expressed in Ba/F3 cells assessed as inhibition of STAT5 phosphorylation after 60 mins by AlphaScreen assay				J Med Chem 54: 8440-50 (2011) Article DOI: 10.1021/jm200911r BindingDB Entry DOI: 10.7270/Q22N52PG
					More data for this Ligand-Target Pair