BDBM185700 US10875847, Compound Oclacitinib::US9161939, 1a::US9271981, 1a

SMILES: CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12

InChI Key:

Data: 11 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 11 hits for monomerid = 185700   

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))	BDBM185700 (US10875847, Compound Oclacitinib | US9161939, 1a |...) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.53	n/a	n/a	n/a	n/a	7.4	n/a
Zoetis Services LLC US Patent					Assay Description Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk...				US Patent US9161939 (2015) BindingDB Entry DOI: 10.7270/Q2CC0ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM185700 (US10875847, Compound Oclacitinib | US9161939, 1a |...) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	7.4	n/a
Zoetis Services LLC US Patent					Assay Description Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk...				US Patent US9161939 (2015) BindingDB Entry DOI: 10.7270/Q2CC0ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM185700 (US10875847, Compound Oclacitinib | US9161939, 1a |...) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	95.1	n/a	n/a	n/a	n/a	7.4	n/a
Zoetis Services LLC US Patent					Assay Description Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk...				US Patent US9161939 (2015) BindingDB Entry DOI: 10.7270/Q2CC0ZF7
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM185700 (US10875847, Compound Oclacitinib | US9161939, 1a |...) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	75.1	n/a	n/a	n/a	n/a	7.4	n/a
Zoetis Services LLC US Patent					Assay Description Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk...				US Patent US9161939 (2015) BindingDB Entry DOI: 10.7270/Q2CC0ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM185700 (US10875847, Compound Oclacitinib | US9161939, 1a |...) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.53	n/a	n/a	n/a	n/a	7.4	n/a
Zoetis Services LLC US Patent					Assay Description Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk...				US Patent US9271981 (2016) BindingDB Entry DOI: 10.7270/Q2VD6X90
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM185700 (US10875847, Compound Oclacitinib | US9161939, 1a |...) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Intervet Inc. US Patent									US Patent US10875847 (2020)
					More data for this Ligand-Target Pair
JAK3 (aa 781-1124) (Homo sapiens (Human))	BDBM185700 (US10875847, Compound Oclacitinib | US9161939, 1a |...) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	95.1	n/a	n/a	n/a	n/a	7.4	n/a
Zoetis Services LLC US Patent					Assay Description Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk...				US Patent US9271981 (2016) BindingDB Entry DOI: 10.7270/Q2VD6X90
					More data for this Ligand-Target Pair
Tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM185700 (US10875847, Compound Oclacitinib | US9161939, 1a |...) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	75.1	n/a	n/a	n/a	n/a	7.4	n/a
Zoetis Services LLC US Patent					Assay Description Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk...				US Patent US9271981 (2016) BindingDB Entry DOI: 10.7270/Q2VD6X90
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM185700 (US10875847, Compound Oclacitinib | US9161939, 1a |...) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 (808 to 1132 residues) by Z-Lyte assay				Bioorg Med Chem 27: 1497-1508 (2019) Article DOI: 10.1016/j.bmc.2019.02.029
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM185700 (US10875847, Compound Oclacitinib | US9161939, 1a |...) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK1 (852 to 1142 residues) by Z-Lyte assay				Bioorg Med Chem 27: 1497-1508 (2019) Article DOI: 10.1016/j.bmc.2019.02.029
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM185700 (US10875847, Compound Oclacitinib | US9161939, 1a |...) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:9.12,wD:6.5,(5.44,3.81,;3.9,3.81,;2.56,3.04,;1.79,1.7,;3.33,1.7,;1.23,3.81,;-.1,3.04,;-1.44,3.81,;-2.77,3.04,;-2.77,1.5,;-1.44,.73,;-.1,1.5,;-4.1,.73,;-5.44,1.5,;-4.1,-.81,;-5.44,-1.58,;-5.44,-3.12,;-4.1,-3.89,;-2.77,-3.12,;-1.31,-3.6,;-.4,-2.35,;-1.31,-1.11,;-2.77,-1.58,)| Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	7.4	n/a
Zoetis Services LLC US Patent					Assay Description Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk...				US Patent US9271981 (2016) BindingDB Entry DOI: 10.7270/Q2VD6X90
					More data for this Ligand-Target Pair