Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 195781   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM195781 (US9206188, 32 | US9834551, Example 32) Show SMILES CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(c3)S(=O)(=O)N(C)C(C)(C)C)c2c1 Show InChI InChI=1S/C29H30N4O3S/c1-6-7-14-27(34)32-23-12-8-10-20(15-23)22-17-25-26(19-31-28(25)30-18-22)21-11-9-13-24(16-21)37(35,36)33(5)29(2,3)4/h8-13,15-19H,6H2,1-5H3,(H,30,31)(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ARRIEN PHARMACEUTICALS LLC US Patent					Assay Description 1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H-pyrrolo[2,3-b]pyrazine series of compounds exhibited over >100 fold selective against Ja...				US Patent US9206188 (2015) BindingDB Entry DOI: 10.7270/Q2057DRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM195781 (US9206188, 32 | US9834551, Example 32) Show SMILES CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(c3)S(=O)(=O)N(C)C(C)(C)C)c2c1 Show InChI InChI=1S/C29H30N4O3S/c1-6-7-14-27(34)32-23-12-8-10-20(15-23)22-17-25-26(19-31-28(25)30-18-22)21-11-9-13-24(16-21)37(35,36)33(5)29(2,3)4/h8-13,15-19H,6H2,1-5H3,(H,30,31)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
ARRIEN PHARMACEUTICALS LLC US Patent					Assay Description 1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H-pyrrolo[2,3-b]pyrazine series of compounds exhibited over >100 fold selective against Ja...				US Patent US9206188 (2015) BindingDB Entry DOI: 10.7270/Q2057DRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM195781 (US9206188, 32 | US9834551, Example 32) Show SMILES CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(c3)S(=O)(=O)N(C)C(C)(C)C)c2c1 Show InChI InChI=1S/C29H30N4O3S/c1-6-7-14-27(34)32-23-12-8-10-20(15-23)22-17-25-26(19-31-28(25)30-18-22)21-11-9-13-24(16-21)37(35,36)33(5)29(2,3)4/h8-13,15-19H,6H2,1-5H3,(H,30,31)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
ARRIEN PHARMACEUTICALS LLC US Patent					Assay Description 1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H-pyrrolo[2,3-b]pyrazine series of compounds exhibited over >100 fold selective against Ja...				US Patent US9206188 (2015) BindingDB Entry DOI: 10.7270/Q2057DRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM195781 (US9206188, 32 | US9834551, Example 32) Show SMILES CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(c3)S(=O)(=O)N(C)C(C)(C)C)c2c1 Show InChI InChI=1S/C29H30N4O3S/c1-6-7-14-27(34)32-23-12-8-10-20(15-23)22-17-25-26(19-31-28(25)30-18-22)21-11-9-13-24(16-21)37(35,36)33(5)29(2,3)4/h8-13,15-19H,6H2,1-5H3,(H,30,31)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
ARRIEN PHARMACEUTICALS LLC US Patent					Assay Description ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...				US Patent US9834551 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM195781 (US9206188, 32 | US9834551, Example 32) Show SMILES CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(c3)S(=O)(=O)N(C)C(C)(C)C)c2c1 Show InChI InChI=1S/C29H30N4O3S/c1-6-7-14-27(34)32-23-12-8-10-20(15-23)22-17-25-26(19-31-28(25)30-18-22)21-11-9-13-24(16-21)37(35,36)33(5)29(2,3)4/h8-13,15-19H,6H2,1-5H3,(H,30,31)(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
ARRIEN PHARMACEUTICALS LLC US Patent					Assay Description ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...				US Patent US9834551 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM195781 (US9206188, 32 | US9834551, Example 32) Show SMILES CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(c3)S(=O)(=O)N(C)C(C)(C)C)c2c1 Show InChI InChI=1S/C29H30N4O3S/c1-6-7-14-27(34)32-23-12-8-10-20(15-23)22-17-25-26(19-31-28(25)30-18-22)21-11-9-13-24(16-21)37(35,36)33(5)29(2,3)4/h8-13,15-19H,6H2,1-5H3,(H,30,31)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	739	n/a	n/a	n/a	n/a	n/a	n/a
ARRIEN PHARMACEUTICALS LLC US Patent					Assay Description 1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H-pyrrolo[2,3-b]pyrazine series of compounds exhibited over >100 fold selective against Ja...				US Patent US9206188 (2015) BindingDB Entry DOI: 10.7270/Q2057DRT
					More data for this Ligand-Target Pair