BDBM195901 US9206188, 133::US9834551, Example 133

SMILES: COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)\C=C\CN(C)C)ccc1F

InChI Key: InChIKey=NASHROIQYXOKDD-SNAWJCMRSA-N

Data: 7 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 7 hits for monomerid = 195901   

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 ITK/TSK (Homo sapiens (Human))	BDBM195901 (US9206188, 133 | US9834551, Example 133) Show SMILES COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)\C=C\CN(C)C)ccc1F Show InChI InChI=1S/C26H23F3N4O2/c1-33(2)8-4-5-24(34)32-17-6-7-22(28)18(12-17)15-9-20-21(14-31-26(20)30-13-15)19-10-16(27)11-23(29)25(19)35-3/h4-7,9-14H,8H2,1-3H3,(H,30,31)(H,32,34)/b5-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	154	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 BTK (Homo sapiens (Human))	BDBM195901 (US9206188, 133 | US9834551, Example 133) Show SMILES COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)\C=C\CN(C)C)ccc1F Show InChI InChI=1S/C26H23F3N4O2/c1-33(2)8-4-5-24(34)32-17-6-7-22(28)18(12-17)15-9-20-21(14-31-26(20)30-13-15)19-10-16(27)11-23(29)25(19)35-3/h4-7,9-14H,8H2,1-3H3,(H,30,31)(H,32,34)/b5-4+	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	7.56E+3	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))	BDBM195901 (US9206188, 133 | US9834551, Example 133) Show SMILES COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)\C=C\CN(C)C)ccc1F Show InChI InChI=1S/C26H23F3N4O2/c1-33(2)8-4-5-24(34)32-17-6-7-22(28)18(12-17)15-9-20-21(14-31-26(20)30-13-15)19-10-16(27)11-23(29)25(19)35-3/h4-7,9-14H,8H2,1-3H3,(H,30,31)(H,32,34)/b5-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	72.4	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 JAK3 (Homo sapiens (Human))	BDBM195901 (US9206188, 133 | US9834551, Example 133) Show SMILES COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)\C=C\CN(C)C)ccc1F Show InChI InChI=1S/C26H23F3N4O2/c1-33(2)8-4-5-24(34)32-17-6-7-22(28)18(12-17)15-9-20-21(14-31-26(20)30-13-15)19-10-16(27)11-23(29)25(19)35-3/h4-7,9-14H,8H2,1-3H3,(H,30,31)(H,32,34)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM195901 (US9206188, 133 | US9834551, Example 133) Show SMILES COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)\C=C\CN(C)C)ccc1F Show InChI InChI=1S/C26H23F3N4O2/c1-33(2)8-4-5-24(34)32-17-6-7-22(28)18(12-17)15-9-20-21(14-31-26(20)30-13-15)19-10-16(27)11-23(29)25(19)35-3/h4-7,9-14H,8H2,1-3H3,(H,30,31)(H,32,34)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM195901 (US9206188, 133 | US9834551, Example 133) Show SMILES COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)\C=C\CN(C)C)ccc1F Show InChI InChI=1S/C26H23F3N4O2/c1-33(2)8-4-5-24(34)32-17-6-7-22(28)18(12-17)15-9-20-21(14-31-26(20)30-13-15)19-10-16(27)11-23(29)25(19)35-3/h4-7,9-14H,8H2,1-3H3,(H,30,31)(H,32,34)/b5-4+	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 JAK2 (Homo sapiens (Human))	BDBM195901 (US9206188, 133 | US9834551, Example 133) Show SMILES COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(NC(=O)\C=C\CN(C)C)ccc1F Show InChI InChI=1S/C26H23F3N4O2/c1-33(2)8-4-5-24(34)32-17-6-7-22(28)18(12-17)15-9-20-21(14-31-26(20)30-13-15)19-10-16(27)11-23(29)25(19)35-3/h4-7,9-14H,8H2,1-3H3,(H,30,31)(H,32,34)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+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