BDBM35052 K00152::US10047093, 8-39::US10392392, Example 8-39::US10875864, EX. 8-39::US9416132, 8-39

SMILES: Clc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12

InChI Key: InChIKey=OEIWNDGDGDPXIO-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 35052   

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))	BDBM35052 (K00152 | US10047093, 8-39 | US10392392, Example 8-...) Show SMILES Clc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12 Show InChI InChI=1S/C17H17ClN4O/c18-13-3-1-2-12(10-13)15-11-19-17-5-4-16(21-22(15)17)20-14-6-8-23-9-7-14/h1-5,10-11,14H,6-9H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	25
University Hospital Basel					Assay Description Phosphorylation reactions were monitored using a coupled-enzyme assay in which ADP production was coupled to NADH oxidation by pyruvate kinase and la...				Cancer Res 67: 6916-24 (2007) Article DOI: 10.1158/0008-5472.CAN-07-0320 BindingDB Entry DOI: 10.7270/Q23X850Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM35052 (K00152 | US10047093, 8-39 | US10392392, Example 8-...) Show SMILES Clc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12 Show InChI InChI=1S/C17H17ClN4O/c18-13-3-1-2-12(10-13)15-11-19-17-5-4-16(21-22(15)17)20-14-6-8-23-9-7-14/h1-5,10-11,14H,6-9H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	7.5	25
University Hospital Basel					Assay Description Phosphorylation reactions were monitored using a coupled-enzyme assay in which ADP production was coupled to NADH oxidation by pyruvate kinase and la...				Cancer Res 67: 6916-24 (2007) Article DOI: 10.1158/0008-5472.CAN-07-0320 BindingDB Entry DOI: 10.7270/Q23X850Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM35052 (K00152 | US10047093, 8-39 | US10392392, Example 8-...) Show SMILES Clc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12 Show InChI InChI=1S/C17H17ClN4O/c18-13-3-1-2-12(10-13)15-11-19-17-5-4-16(21-22(15)17)20-14-6-8-23-9-7-14/h1-5,10-11,14H,6-9H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	25
Tolero Pharmaceuticals, Inc. US Patent					Assay Description These assays are set up in duplicate 50 ul volumes in white, flat bottom 96 well plates. Inhibitors are added to the solution of 1× kinase buff...				US Patent US9416132 (2016) BindingDB Entry DOI: 10.7270/Q2CV4GNG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM35052 (K00152 | US10047093, 8-39 | US10392392, Example 8-...) Show SMILES Clc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12 Show InChI InChI=1S/C17H17ClN4O/c18-13-3-1-2-12(10-13)15-11-19-17-5-4-16(21-22(15)17)20-14-6-8-23-9-7-14/h1-5,10-11,14H,6-9H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc. US Patent					Assay Description Representative compounds were tested for hERG activity using the Fast Patch assay available from WuXiApptec (Shanghai China).				US Patent US9416132 (2016) BindingDB Entry DOI: 10.7270/Q2CV4GNG
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG (Homo sapiens (Human))	BDBM35052 (K00152 | US10047093, 8-39 | US10392392, Example 8-...) Show SMILES Clc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12 Show InChI InChI=1S/C17H17ClN4O/c18-13-3-1-2-12(10-13)15-11-19-17-5-4-16(21-22(15)17)20-14-6-8-23-9-7-14/h1-5,10-11,14H,6-9H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. US Patent					Assay Description Representative compounds were tested for hERG activity using the Fast Patch assay available from WuXiApptec (Shanghai China).				US Patent US10875864 (2020)
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM35052 (K00152 | US10047093, 8-39 | US10392392, Example 8-...) Show SMILES Clc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12 Show InChI InChI=1S/C17H17ClN4O/c18-13-3-1-2-12(10-13)15-11-19-17-5-4-16(21-22(15)17)20-14-6-8-23-9-7-14/h1-5,10-11,14H,6-9H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TOLERO PHARMACEUTICALS, INC. US Patent					Assay Description Representative compounds were tested for hERG activity using the Fast Patch assay available from WuXiApptec (Shanghai China).				US Patent US10047093 (2018) BindingDB Entry DOI: 10.7270/Q298890X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM35052 (K00152 | US10047093, 8-39 | US10392392, Example 8-...) Show SMILES Clc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12 Show InChI InChI=1S/C17H17ClN4O/c18-13-3-1-2-12(10-13)15-11-19-17-5-4-16(21-22(15)17)20-14-6-8-23-9-7-14/h1-5,10-11,14H,6-9H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc. US Patent					Assay Description One illustrative manner in which Pim-1 kinase activity can be determined is by quantifying the amount of ATP remaining in solution after an in vitro ...				US Patent US10392392 (2019) BindingDB Entry DOI: 10.7270/Q27P91RC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM35052 (K00152 | US10047093, 8-39 | US10392392, Example 8-...) Show SMILES Clc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12 Show InChI InChI=1S/C17H17ClN4O/c18-13-3-1-2-12(10-13)15-11-19-17-5-4-16(21-22(15)17)20-14-6-8-23-9-7-14/h1-5,10-11,14H,6-9H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc. US Patent					Assay Description hERG activity assays representative compounds were tested for hERG activity using the Fast Patch assay available from WuXiApptec (Shanghai China).				US Patent US10392392 (2019) BindingDB Entry DOI: 10.7270/Q27P91RC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM35052 (K00152 | US10047093, 8-39 | US10392392, Example 8-...) Show SMILES Clc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12 Show InChI InChI=1S/C17H17ClN4O/c18-13-3-1-2-12(10-13)15-11-19-17-5-4-16(21-22(15)17)20-14-6-8-23-9-7-14/h1-5,10-11,14H,6-9H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. US Patent					Assay Description One illustrative manner in which Pim-1 kinase activity can be determined is by quantifying the amount of ATP remaining in solution after an in vitro ...				US Patent US10875864 (2020)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM35052 (K00152 | US10047093, 8-39 | US10392392, Example 8-...) Show SMILES Clc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12 Show InChI InChI=1S/C17H17ClN4O/c18-13-3-1-2-12(10-13)15-11-19-17-5-4-16(21-22(15)17)20-14-6-8-23-9-7-14/h1-5,10-11,14H,6-9H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	25
TOLERO PHARMACEUTICALS, INC. US Patent					Assay Description One illustrative manner in which Pim-1 kinase activity can be determined is by quantifying the amount of ATP remaining in solution after an in vitro ...				US Patent US10047093 (2018) BindingDB Entry DOI: 10.7270/Q298890X
					More data for this Ligand-Target Pair