BDBM50466685 CHEMBL4281035

SMILES: Cn1nccc1S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12

InChI Key: InChIKey=CEVCDPUMVLQLEJ-DLBZAZTESA-N

Data: 4 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 4 hits for monomerid = 50466685   

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))	BDBM50466685 (CHEMBL4281035) Show SMILES Cn1nccc1S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H18N8O2S/c1-28-18(5-7-26-28)31(29,30)27-17-9-16(23-10-21)15-8-12(2-3-13(15)17)19-14-4-6-22-20(14)25-11-24-19/h2-8,11,16-17,23,27H,9H2,1H3,(H,22,24,25)/t16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK1 using KAIETDKEYYTVKD-NH2 as substrate in presence of 1 mM ATP concentration by coupled PK/LDH assay				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50466685 (CHEMBL4281035) Show SMILES Cn1nccc1S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H18N8O2S/c1-28-18(5-7-26-28)31(29,30)27-17-9-16(23-10-21)15-8-12(2-3-13(15)17)19-14-4-6-22-20(14)25-11-24-19/h2-8,11,16-17,23,27H,9H2,1H3,(H,22,24,25)/t16-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged TYK2 expressed in SF21/baculovirus expression system using KAIETDKEYYTVKD-NH2 as substrate in presence of ...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50466685 (CHEMBL4281035) Show SMILES Cn1nccc1S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H18N8O2S/c1-28-18(5-7-26-28)31(29,30)27-17-9-16(23-10-21)15-8-12(2-3-13(15)17)19-14-4-6-22-20(14)25-11-24-19/h2-8,11,16-17,23,27H,9H2,1H3,(H,22,24,25)/t16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of 1 mM ATP concentration by coupled PK/...				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50466685 (CHEMBL4281035) Show SMILES Cn1nccc1S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H18N8O2S/c1-28-18(5-7-26-28)31(29,30)27-17-9-16(23-10-21)15-8-12(2-3-13(15)17)19-14-4-6-22-20(14)25-11-24-19/h2-8,11,16-17,23,27H,9H2,1H3,(H,22,24,25)/t16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>7.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK2 using KAIETDKEYYTVKD-NH2 as substrate in presence of 1 mM ATP concentration by coupled PK/LDH assay				J Med Chem 61: 10665-10699 (2018) Article DOI: 10.1021/acs.jmedchem.8b01308 BindingDB Entry DOI: 10.7270/Q25T3P53
					More data for this Ligand-Target Pair