BDBM50261809 CHEMBL4098659

SMILES: CN1CCN(CC1)c1ccc(cc1)-c1cc2c(Cl)cc(nc2n1C)C(N)=O

InChI Key: InChIKey=ZHUIPHDJCHSZFK-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches 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 = 50261809   

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-2 (Homo sapiens (Human))	BDBM50261809 (CHEMBL4098659) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc2c(Cl)cc(nc2n1C)C(N)=O Show InChI InChI=1S/C20H22ClN5O/c1-24-7-9-26(10-8-24)14-5-3-13(4-6-14)18-11-15-16(21)12-17(19(22)27)23-20(15)25(18)2/h3-6,11-12H,7-10H2,1-2H3,(H2,22,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
IDD Medicinal Chemistry, Sanofi Genzyme, 153 Second Avenue, Waltham, MA 02451, USA. Electronic address: claude.barberis2@sanofi.com. Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin) assessed as reduction in BAD phosphorylation at Ser112 residues by TR-FRET assay				Bioorg Med Chem Lett 27: 4735-4740 (2017) Article DOI: 10.1016/j.bmcl.2017.08.068 BindingDB Entry DOI: 10.7270/Q2NG4T34
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50261809 (CHEMBL4098659) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc2c(Cl)cc(nc2n1C)C(N)=O Show InChI InChI=1S/C20H22ClN5O/c1-24-7-9-26(10-8-24)14-5-3-13(4-6-14)18-11-15-16(21)12-17(19(22)27)23-20(15)25(18)2/h3-6,11-12H,7-10H2,1-2H3,(H2,22,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
IDD Medicinal Chemistry, Sanofi Genzyme, 153 Second Avenue, Waltham, MA 02451, USA. Electronic address: claude.barberis2@sanofi.com. Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) assessed as reduction in BAD phosphorylation at Ser112 residues by TR-FRET assay				Bioorg Med Chem Lett 27: 4735-4740 (2017) Article DOI: 10.1016/j.bmcl.2017.08.068 BindingDB Entry DOI: 10.7270/Q2NG4T34
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50261809 (CHEMBL4098659) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc2c(Cl)cc(nc2n1C)C(N)=O Show InChI InChI=1S/C20H22ClN5O/c1-24-7-9-26(10-8-24)14-5-3-13(4-6-14)18-11-15-16(21)12-17(19(22)27)23-20(15)25(18)2/h3-6,11-12H,7-10H2,1-2H3,(H2,22,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
IDD Medicinal Chemistry, Sanofi Genzyme, 153 Second Avenue, Waltham MA 02451, USA. Electronic address: claude.barberis2@sanofi.com. Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) assessed as reduction in full length human BAD phosphorylation at Ser112 residues by TR-FRET assay				Bioorg Med Chem Lett 27: 4730-4734 (2017) Article DOI: 10.1016/j.bmcl.2017.08.069 BindingDB Entry DOI: 10.7270/Q2GT5QNB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50261809 (CHEMBL4098659) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc2c(Cl)cc(nc2n1C)C(N)=O Show InChI InChI=1S/C20H22ClN5O/c1-24-7-9-26(10-8-24)14-5-3-13(4-6-14)18-11-15-16(21)12-17(19(22)27)23-20(15)25(18)2/h3-6,11-12H,7-10H2,1-2H3,(H2,22,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
IDD Medicinal Chemistry, Sanofi Genzyme, 153 Second Avenue, Waltham MA 02451, USA. Electronic address: claude.barberis2@sanofi.com. Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) assessed as reduction in full length human BAD phosphorylation at Ser112 residues by TR-FRET assay				Bioorg Med Chem Lett 27: 4730-4734 (2017) Article DOI: 10.1016/j.bmcl.2017.08.069 BindingDB Entry DOI: 10.7270/Q2GT5QNB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50261809 (CHEMBL4098659) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc2c(Cl)cc(nc2n1C)C(N)=O Show InChI InChI=1S/C20H22ClN5O/c1-24-7-9-26(10-8-24)14-5-3-13(4-6-14)18-11-15-16(21)12-17(19(22)27)23-20(15)25(18)2/h3-6,11-12H,7-10H2,1-2H3,(H2,22,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
IDD Medicinal Chemistry, Sanofi Genzyme, 153 Second Avenue, Waltham MA 02451, USA. Electronic address: claude.barberis2@sanofi.com. Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin) assessed as reduction in full length human BAD phosphorylation at Ser112 residues by TR-FRET assay				Bioorg Med Chem Lett 27: 4730-4734 (2017) Article DOI: 10.1016/j.bmcl.2017.08.069 BindingDB Entry DOI: 10.7270/Q2GT5QNB
					More data for this Ligand-Target Pair