BDBM195906 US9206188, 150::US9834551, Example 150

SMILES: C=CC(=O)Nc1cccc(c1)-c1cnc2NC(=O)Cc2c1

InChI Key: InChIKey=YDVJLFLSMZJGFQ-UHFFFAOYSA-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 = 195906   

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))	BDBM195906 (US9206188, 150 | US9834551, Example 150) Show SMILES C=CC(=O)Nc1cccc(c1)-c1cnc2NC(=O)Cc2c1 Show InChI InChI=1S/C16H13N3O2/c1-2-14(20)18-13-5-3-4-10(7-13)12-6-11-8-15(21)19-16(11)17-9-12/h2-7,9H,1,8H2,(H,18,20)(H,17,19,21)	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))	BDBM195906 (US9206188, 150 | US9834551, Example 150) Show SMILES C=CC(=O)Nc1cccc(c1)-c1cnc2NC(=O)Cc2c1 Show InChI InChI=1S/C16H13N3O2/c1-2-14(20)18-13-5-3-4-10(7-13)12-6-11-8-15(21)19-16(11)17-9-12/h2-7,9H,1,8H2,(H,18,20)(H,17,19,21)	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))	BDBM195906 (US9206188, 150 | US9834551, Example 150) Show SMILES C=CC(=O)Nc1cccc(c1)-c1cnc2NC(=O)Cc2c1 Show InChI InChI=1S/C16H13N3O2/c1-2-14(20)18-13-5-3-4-10(7-13)12-6-11-8-15(21)19-16(11)17-9-12/h2-7,9H,1,8H2,(H,18,20)(H,17,19,21)	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))	BDBM195906 (US9206188, 150 | US9834551, Example 150) Show SMILES C=CC(=O)Nc1cccc(c1)-c1cnc2NC(=O)Cc2c1 Show InChI InChI=1S/C16H13N3O2/c1-2-14(20)18-13-5-3-4-10(7-13)12-6-11-8-15(21)19-16(11)17-9-12/h2-7,9H,1,8H2,(H,18,20)(H,17,19,21)	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))	BDBM195906 (US9206188, 150 | US9834551, Example 150) Show SMILES C=CC(=O)Nc1cccc(c1)-c1cnc2NC(=O)Cc2c1 Show InChI InChI=1S/C16H13N3O2/c1-2-14(20)18-13-5-3-4-10(7-13)12-6-11-8-15(21)19-16(11)17-9-12/h2-7,9H,1,8H2,(H,18,20)(H,17,19,21)	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))	BDBM195906 (US9206188, 150 | US9834551, Example 150) Show SMILES C=CC(=O)Nc1cccc(c1)-c1cnc2NC(=O)Cc2c1 Show InChI InChI=1S/C16H13N3O2/c1-2-14(20)18-13-5-3-4-10(7-13)12-6-11-8-15(21)19-16(11)17-9-12/h2-7,9H,1,8H2,(H,18,20)(H,17,19,21)	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))	BDBM195906 (US9206188, 150 | US9834551, Example 150) Show SMILES C=CC(=O)Nc1cccc(c1)-c1cnc2NC(=O)Cc2c1 Show InChI InChI=1S/C16H13N3O2/c1-2-14(20)18-13-5-3-4-10(7-13)12-6-11-8-15(21)19-16(11)17-9-12/h2-7,9H,1,8H2,(H,18,20)(H,17,19,21)	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