BDBM195830 US9206188, 81::US9834551, Example 81

SMILES: CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1

InChI Key: InChIKey=BTUKQVNRDONJAO-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 195830   

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))	BDBM195830 (US9206188, 81 | US9834551, Example 81) Show SMILES CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C16H12N4O/c1-2-4-15(21)20-14-6-3-5-13(19-14)12-9-11-7-8-17-16(11)18-10-12/h3,5-10H,1H3,(H,17,18)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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 BTK (Homo sapiens (Human))	BDBM195830 (US9206188, 81 | US9834551, Example 81) Show SMILES CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C16H12N4O/c1-2-4-15(21)20-14-6-3-5-13(19-14)12-9-11-7-8-17-16(11)18-10-12/h3,5-10H,1H3,(H,17,18)(H,19,20,21)	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	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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM195830 (US9206188, 81 | US9834551, Example 81) Show SMILES CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C16H12N4O/c1-2-4-15(21)20-14-6-3-5-13(19-14)12-9-11-7-8-17-16(11)18-10-12/h3,5-10H,1H3,(H,17,18)(H,19,20,21)	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))	BDBM195830 (US9206188, 81 | US9834551, Example 81) Show SMILES CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C16H12N4O/c1-2-4-15(21)20-14-6-3-5-13(19-14)12-9-11-7-8-17-16(11)18-10-12/h3,5-10H,1H3,(H,17,18)(H,19,20,21)	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))	BDBM195830 (US9206188, 81 | US9834551, Example 81) Show SMILES CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C16H12N4O/c1-2-4-15(21)20-14-6-3-5-13(19-14)12-9-11-7-8-17-16(11)18-10-12/h3,5-10H,1H3,(H,17,18)(H,19,20,21)	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 ITK/TSK (Homo sapiens (Human))	BDBM195830 (US9206188, 81 | US9834551, Example 81) Show SMILES CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C16H12N4O/c1-2-4-15(21)20-14-6-3-5-13(19-14)12-9-11-7-8-17-16(11)18-10-12/h3,5-10H,1H3,(H,17,18)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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