BDBM28394 (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid::pyrazine inhibitor, 1

SMILES: CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1

InChI Key: InChIKey=DTBFDAJNODVUMF-VOTSOKGWSA-N

Data: 5 IC50

PDB links: 2 PDB IDs match this monomer.

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 5 hits for monomerid = 28394   

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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM28394 ((2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2...) Show SMILES CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1 Show InChI InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	7.5	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The activity of Pim kinase was measured in a homogeneous luciferase assay using GST-Pim, biotinylated peptide substrate and a luciferin-luciferase de...				J Med Chem 52: 1814-27 (2009) Article DOI: 10.1021/jm801242y BindingDB Entry DOI: 10.7270/Q25T3HS3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM28394 ((2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2...) Show SMILES CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1 Show InChI InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The activity of Pim kinase was measured in a homogeneous luciferase assay using GST-Pim, biotinylated peptide substrate and a luciferin-luciferase de...				J Med Chem 52: 1814-27 (2009) Article DOI: 10.1021/jm801242y BindingDB Entry DOI: 10.7270/Q25T3HS3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM28394 ((2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2...) Show SMILES CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1 Show InChI InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...				J Med Chem 55: 2641-8 (2012) Article DOI: 10.1021/jm2014698 BindingDB Entry DOI: 10.7270/Q2Q2418B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM28394 ((2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2...) Show SMILES CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1 Show InChI InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Cylene Pharmaceuticals Curated by ChEMBL					Assay Description Competitive inhibition of PIM1 in presence of ATP				J Med Chem 55: 8199-208 (2012) Article DOI: 10.1021/jm3009234 BindingDB Entry DOI: 10.7270/Q2930V9T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM28394 ((2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2...) Show SMILES CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1 Show InChI InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Cylene Pharmaceuticals Curated by ChEMBL					Assay Description Competitive inhibition of PIM2 in presence of ATP				J Med Chem 55: 8199-208 (2012) Article DOI: 10.1021/jm3009234 BindingDB Entry DOI: 10.7270/Q2930V9T
					More data for this Ligand-Target Pair