Compile Data Set for Download or QSAR

Found 216 hits with Last Name = 'batchelor' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50049679 (6-(4,5-Dihydro-1H-imidazol-2-yl)-2-ethyl-10,10-dio...) Show SMILES CCc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:22| Show InChI InChI=1S/C18H16N2O3S/c1-2-11-3-6-15-14(9-11)17(21)13-5-4-12(18-19-7-8-20-18)10-16(13)24(15,22)23/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Ex vivo value for inhibition of MAO A of rats sacrificed 2 hr after po administration				J Med Chem 39: 1857-63 (1996) Article DOI: 10.1021/jm950595m BindingDB Entry DOI: 10.7270/Q2TM796B
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50049694 (3-(4,5-Dihydro-1H-imidazol-2-yl)-10,10-dioxo-10H-1...) Show SMILES O=C1c2ccccc2S(=O)(=O)c2cc(ccc12)C1=NCCN1 |t:20| Show InChI InChI=1S/C16H12N2O3S/c19-15-11-3-1-2-4-13(11)22(20,21)14-9-10(5-6-12(14)15)16-17-7-8-18-16/h1-6,9H,7-8H2,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Ex vivo value for inhibition of MAO A of rats sacrificed 2 hr after po administration				J Med Chem 39: 1857-63 (1996) Article DOI: 10.1021/jm950595m BindingDB Entry DOI: 10.7270/Q2TM796B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50261864 (CHEMBL4100435) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CC3)n(C3CCCNC3)c2n1 Show InChI InChI=1S/C18H18Cl2N4O/c19-12-8-13(17(21)25)23-18-15(12)16(20)14(6-5-10-3-4-10)24(18)11-2-1-7-22-9-11/h8,10-11,22H,1-4,7,9H2,(H2,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50554405 (CHEMBL4759685) Show SMILES [H][C@@]1(CCNC[C@H]1F)[C@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PIM1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127625 BindingDB Entry DOI: 10.7270/Q2Z3239C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50554403 (CHEMBL4750046) Show SMILES [H][C@@]1(CCNC[C@@H]1F)[C@@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PIM1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127625 BindingDB Entry DOI: 10.7270/Q2Z3239C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50554401 (CHEMBL4778578) Show SMILES C[C@H](n1cc(C)c2c(Cl)cc(nc12)C(N)=O)[C@]1(F)CCNC1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PIM1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127625 BindingDB Entry DOI: 10.7270/Q2Z3239C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50261857 (CHEMBL4082422) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n(C3CCCNC3)c2n1 Show InChI InChI=1S/C16H18Cl2N4O/c17-10-6-11(15(19)23)21-16-12(10)13(18)14(8-3-4-8)22(16)9-2-1-5-20-7-9/h6,8-9,20H,1-5,7H2,(H2,19,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50261826 (CHEMBL4084988) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(I)n(C3CCCNC3)c2n1 Show InChI InChI=1S/C13H13Cl2IN4O/c14-7-4-8(12(17)21)19-13-9(7)10(15)11(16)20(13)6-2-1-3-18-5-6/h4,6,18H,1-3,5H2,(H2,17,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50261828 (CHEMBL4095220) Show SMILES NC1CCCC(C1)n1c(I)c(Cl)c2c(Cl)cc(nc12)C(N)=O Show InChI InChI=1S/C14H15Cl2IN4O/c15-8-5-9(13(19)22)20-14-10(8)11(16)12(17)21(14)7-3-1-2-6(18)4-7/h5-7H,1-4,18H2,(H2,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50261829 (CHEMBL4067797) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(I)n(C3CCCNCC3)c2n1 Show InChI InChI=1S/C14H15Cl2IN4O/c15-8-6-9(13(18)22)20-14-10(8)11(16)12(17)21(14)7-2-1-4-19-5-3-7/h6-7,19H,1-5H2,(H2,18,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50261822 (CHEMBL4093592) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(I)n(CC3CCNC3)c2n1 Show InChI InChI=1S/C13H13Cl2IN4O/c14-7-3-8(12(17)21)19-13-9(7)10(15)11(16)20(13)5-6-1-2-18-4-6/h3,6,18H,1-2,4-5H2,(H2,17,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50261822 (CHEMBL4093592) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(I)n(CC3CCNC3)c2n1 Show InChI InChI=1S/C13H13Cl2IN4O/c14-7-3-8(12(17)21)19-13-9(7)10(15)11(16)20(13)5-6-1-2-18-4-6/h3,6,18H,1-2,4-5H2,(H2,17,21)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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 Mycobacterium tuberculosis H37RV InhA				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))	BDBM50261858 (CHEMBL4062258) Show SMILES Cn1cc(cn1)-c1c(Cl)c2c(Cl)cc(nc2n1C1CCCNC1)C(N)=O Show InChI InChI=1S/C17H18Cl2N6O/c1-24-8-9(6-22-24)15-14(19)13-11(18)5-12(16(20)26)23-17(13)25(15)10-3-2-4-21-7-10/h5-6,8,10,21H,2-4,7H2,1H3,(H2,20,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50261827 (CHEMBL4070441) Show SMILES NC1CCC(CC1)n1c(I)c(Cl)c2c(Cl)cc(nc12)C(N)=O |(71.97,-24.68,;71.49,-23.21,;69.98,-22.89,;69.5,-21.44,;70.53,-20.3,;72.04,-20.6,;72.52,-22.06,;70.05,-18.83,;70.95,-17.58,;72.49,-17.57,;70.03,-16.34,;70.5,-14.87,;68.57,-16.82,;67.24,-16.06,;67.23,-14.52,;65.91,-16.83,;65.91,-18.37,;67.24,-19.15,;68.58,-18.37,;64.57,-19.14,;64.57,-20.68,;63.24,-18.37,)| Show InChI InChI=1S/C14H15Cl2IN4O/c15-8-5-9(13(19)22)20-14-10(8)11(16)12(17)21(14)7-3-1-6(18)2-4-7/h5-7H,1-4,18H2,(H2,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50554404 (CHEMBL4745141) Show SMILES [H][C@]1(CCNC[C@H]1F)[C@@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PIM1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127625 BindingDB Entry DOI: 10.7270/Q2Z3239C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50049682 (2-Methoxy-6-(5-methyl-[1,3,4]oxadiazol-2-yl)-10,10...) Show SMILES COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnc(C)o1 Show InChI InChI=1S/C17H12N2O5S/c1-9-18-19-17(24-9)10-3-5-12-15(7-10)25(21,22)14-6-4-11(23-2)8-13(14)16(12)20/h3-8H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against rat brain mitochondrial monoamine oxidase A				J Med Chem 39: 1857-63 (1996) Article DOI: 10.1021/jm950595m BindingDB Entry DOI: 10.7270/Q2TM796B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50261808 (CHEMBL4104355) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n([C@H]3CCCNC3)c2n1 |r| Show InChI InChI=1S/C16H18Cl2N4O/c17-10-6-11(15(19)23)21-16-12(10)13(18)14(8-3-4-8)22(16)9-2-1-5-20-7-9/h6,8-9,20H,1-5,7H2,(H2,19,23)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50554406 (CHEMBL4746428) Show SMILES [H][C@]1(CCNC[C@@H]1F)[C@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PIM1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127625 BindingDB Entry DOI: 10.7270/Q2Z3239C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50261826 (CHEMBL4084988) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(I)n(C3CCCNC3)c2n1 Show InChI InChI=1S/C13H13Cl2IN4O/c14-7-4-8(12(17)21)19-13-9(7)10(15)11(16)20(13)6-2-1-3-18-5-6/h4,6,18H,1-3,5H2,(H2,17,21)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	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 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-3 (Homo sapiens (Human))	BDBM50261828 (CHEMBL4095220) Show SMILES NC1CCCC(C1)n1c(I)c(Cl)c2c(Cl)cc(nc12)C(N)=O Show InChI InChI=1S/C14H15Cl2IN4O/c15-8-5-9(13(19)22)20-14-10(8)11(16)12(17)21(14)7-3-1-2-6(18)4-7/h5-7H,1-4,18H2,(H2,19,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	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 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))	BDBM50261825 (CHEMBL4077977) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(I)n(C3CCNCC3)c2n1 Show InChI InChI=1S/C13H13Cl2IN4O/c14-7-5-8(12(17)21)19-13-9(7)10(15)11(16)20(13)6-1-3-18-4-2-6/h5-6,18H,1-4H2,(H2,17,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	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
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50049703 (6-(2-Methyl-2H-tetrazol-5-yl)-10,10-dioxo-2-propox...) Show SMILES CCCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnn(C)n1 Show InChI InChI=1S/C18H16N4O4S/c1-3-8-26-12-5-7-15-14(10-12)17(23)13-6-4-11(9-16(13)27(15,24)25)18-19-21-22(2)20-18/h4-7,9-10H,3,8H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against rat brain mitochondrial monoamine oxidase A				J Med Chem 39: 1857-63 (1996) Article DOI: 10.1021/jm950595m BindingDB Entry DOI: 10.7270/Q2TM796B
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50049686 (2-Methoxy-6-(2-methyl-2H-tetrazol-5-yl)-10,10-diox...) Show SMILES COc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnn(C)n1 Show InChI InChI=1S/C16H12N4O4S/c1-20-18-16(17-19-20)9-3-5-11-14(7-9)25(22,23)13-6-4-10(24-2)8-12(13)15(11)21/h3-8H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against rat brain mitochondrial monoamine oxidase A				J Med Chem 39: 1857-63 (1996) Article DOI: 10.1021/jm950595m BindingDB Entry DOI: 10.7270/Q2TM796B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50261873 (CHEMBL4070019) Show SMILES CN1CCC(CC1)n1c(I)c(Cl)c2c(Cl)cc(nc12)C(N)=O Show InChI InChI=1S/C14H15Cl2IN4O/c1-20-4-2-7(3-5-20)21-12(17)11(16)10-8(15)6-9(13(18)22)19-14(10)21/h6-7H,2-5H2,1H3,(H2,18,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	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
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50049666 (5-(10,10-Dioxo-10H-10lambda*6*-phenoxathiin-2-yl)-...) Show SMILES Cn1nnc(n1)-c1ccc2Oc3ccccc3S(=O)(=O)c2c1 Show InChI InChI=1S/C14H10N4O3S/c1-18-16-14(15-17-18)9-6-7-11-13(8-9)22(19,20)12-5-3-2-4-10(12)21-11/h2-8H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against rat brain mitochondrial monoamine oxidase A				J Med Chem 39: 1857-63 (1996) Article DOI: 10.1021/jm950595m BindingDB Entry DOI: 10.7270/Q2TM796B
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50049671 (2-Methyl-6-(5-methyl-[1,3,4]oxadiazol-2-yl)-10,10-...) Show SMILES Cc1nnc(o1)-c1ccc2C(=O)c3cc(C)ccc3S(=O)(=O)c2c1 Show InChI InChI=1S/C17H12N2O4S/c1-9-3-6-14-13(7-9)16(20)12-5-4-11(8-15(12)24(14,21)22)17-19-18-10(2)23-17/h3-8H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against rat brain mitochondrial monoamine oxidase A				J Med Chem 39: 1857-63 (1996) Article DOI: 10.1021/jm950595m BindingDB Entry DOI: 10.7270/Q2TM796B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50554403 (CHEMBL4750046) Show SMILES [H][C@@]1(CCNC[C@@H]1F)[C@@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PIM2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127625 BindingDB Entry DOI: 10.7270/Q2Z3239C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50049701 (3-(5-Methyl-[1,3,4]oxadiazol-2-yl)-10,10-dioxo-10H...) Show SMILES Cc1nnc(o1)-c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1 Show InChI InChI=1S/C16H10N2O4S/c1-9-17-18-16(22-9)10-6-7-12-14(8-10)23(20,21)13-5-3-2-4-11(13)15(12)19/h2-8H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against rat brain mitochondrial monoamine oxidase A				J Med Chem 39: 1857-63 (1996) Article DOI: 10.1021/jm950595m BindingDB Entry DOI: 10.7270/Q2TM796B
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50049704 (2-(5-Methyl-[1,3,4]oxadiazol-2-yl)-10,11-dioxa-dib...) Show SMILES Cc1nnc(o1)-c1ccc2c(OOc3ccccc3C2=O)c1 Show InChI InChI=1S/C16H10N2O4/c1-9-17-18-16(20-9)10-6-7-12-14(8-10)22-21-13-5-3-2-4-11(13)15(12)19/h2-8H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Monoamine oxidase A				J Med Chem 39: 1857-63 (1996) Article DOI: 10.1021/jm950595m BindingDB Entry DOI: 10.7270/Q2TM796B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50554404 (CHEMBL4745141) Show SMILES [H][C@]1(CCNC[C@H]1F)[C@@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PIM2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127625 BindingDB Entry DOI: 10.7270/Q2Z3239C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50261827 (CHEMBL4070441) Show SMILES NC1CCC(CC1)n1c(I)c(Cl)c2c(Cl)cc(nc12)C(N)=O |(71.97,-24.68,;71.49,-23.21,;69.98,-22.89,;69.5,-21.44,;70.53,-20.3,;72.04,-20.6,;72.52,-22.06,;70.05,-18.83,;70.95,-17.58,;72.49,-17.57,;70.03,-16.34,;70.5,-14.87,;68.57,-16.82,;67.24,-16.06,;67.23,-14.52,;65.91,-16.83,;65.91,-18.37,;67.24,-19.15,;68.58,-18.37,;64.57,-19.14,;64.57,-20.68,;63.24,-18.37,)| Show InChI InChI=1S/C14H15Cl2IN4O/c15-8-5-9(13(19)22)20-14-10(8)11(16)12(17)21(14)7-3-1-6(18)2-4-7/h5-7H,1-4,18H2,(H2,19,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	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 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-3 (Homo sapiens (Human))	BDBM50261829 (CHEMBL4067797) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(I)n(C3CCCNCC3)c2n1 Show InChI InChI=1S/C14H15Cl2IN4O/c15-8-6-9(13(18)22)20-14-10(8)11(16)12(17)21(14)7-2-1-4-19-5-3-7/h6-7,19H,1-5H2,(H2,18,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	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 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))	BDBM50261874 (CHEMBL4064302) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(I)n(CCC3CCNCC3)c2n1 Show InChI InChI=1S/C15H17Cl2IN4O/c16-9-7-10(14(19)23)21-15-11(9)12(17)13(18)22(15)6-3-8-1-4-20-5-2-8/h7-8,20H,1-6H2,(H2,19,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50261854 (CHEMBL4075702) Show SMILES CSc1c(Cl)c2c(Cl)cc(nc2n1C1CCCNC1)C(N)=O Show InChI InChI=1S/C14H16Cl2N4OS/c1-22-14-11(16)10-8(15)5-9(12(17)21)19-13(10)20(14)7-3-2-4-18-6-7/h5,7,18H,2-4,6H2,1H3,(H2,17,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50261866 (CHEMBL4087517) Show SMILES NCC1CCC(CC1)n1c(I)c(Cl)c2c(Cl)cc(nc12)C(N)=O |(25.89,-37.44,;26.91,-36.3,;26.43,-34.83,;24.93,-34.51,;24.45,-33.06,;25.48,-31.92,;26.98,-32.22,;27.46,-33.68,;24.99,-30.45,;25.89,-29.2,;27.43,-29.19,;24.98,-27.96,;25.44,-26.49,;23.51,-28.44,;22.18,-27.68,;22.17,-26.14,;20.85,-28.45,;20.85,-29.99,;22.18,-30.77,;23.52,-29.99,;19.51,-30.76,;19.51,-32.3,;18.18,-29.99,)| Show InChI InChI=1S/C15H17Cl2IN4O/c16-9-5-10(14(20)23)21-15-11(9)12(17)13(18)22(15)8-3-1-7(6-19)2-4-8/h5,7-8H,1-4,6,19H2,(H2,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50261856 (CHEMBL4071926) Show SMILES [#6]\[#6](-[#6])=[#6]\c1c(Cl)c2c(Cl)cc(nc2n1-[#6]-1-[#6]-[#6]-[#6]-[#7]-[#6]-1)-[#6](-[#7])=O Show InChI InChI=1S/C17H20Cl2N4O/c1-9(2)6-13-15(19)14-11(18)7-12(16(20)24)22-17(14)23(13)10-4-3-5-21-8-10/h6-7,10,21H,3-5,8H2,1-2H3,(H2,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 Mycobacterium tuberculosis H37RV InhA				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-3 (Homo sapiens (Human))	BDBM50261825 (CHEMBL4077977) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(I)n(C3CCNCC3)c2n1 Show InChI InChI=1S/C13H13Cl2IN4O/c14-7-5-8(12(17)21)19-13-9(7)10(15)11(16)20(13)6-1-3-18-4-2-6/h5-6,18H,1-4H2,(H2,17,21)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 PIM3 (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))	BDBM50261823 (CHEMBL4072887) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(I)n(CC3CCNCC3)c2n1 Show InChI InChI=1S/C14H15Cl2IN4O/c15-8-5-9(13(18)22)20-14-10(8)11(16)12(17)21(14)6-7-1-3-19-4-2-7/h5,7,19H,1-4,6H2,(H2,18,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50261807 (CHEMBL4086461) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n([C@@H]3CCCNC3)c2n1 |r| Show InChI InChI=1S/C16H18Cl2N4O/c17-10-6-11(15(19)23)21-16-12(10)13(18)14(8-3-4-8)22(16)9-2-1-5-20-7-9/h6,8-9,20H,1-5,7H2,(H2,19,23)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 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
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50049687 (2-Isopropyl-6-(2-methyl-2H-tetrazol-5-yl)-10,10-di...) Show SMILES CC(C)c1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)-c1nnn(C)n1 Show InChI InChI=1S/C18H16N4O3S/c1-10(2)11-5-7-15-14(8-11)17(23)13-6-4-12(9-16(13)26(15,24)25)18-19-21-22(3)20-18/h4-10H,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against rat brain mitochondrial monoamine oxidase A				J Med Chem 39: 1857-63 (1996) Article DOI: 10.1021/jm950595m BindingDB Entry DOI: 10.7270/Q2TM796B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50261873 (CHEMBL4070019) Show SMILES CN1CCC(CC1)n1c(I)c(Cl)c2c(Cl)cc(nc12)C(N)=O Show InChI InChI=1S/C14H15Cl2IN4O/c1-20-4-2-7(3-5-20)21-12(17)11(16)10-8(15)6-9(13(18)22)19-14(10)21/h6-7H,2-5H2,1H3,(H2,18,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	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 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-2 (Homo sapiens (Human))	BDBM50261808 (CHEMBL4104355) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n([C@H]3CCCNC3)c2n1 |r| Show InChI InChI=1S/C16H18Cl2N4O/c17-10-6-11(15(19)23)21-16-12(10)13(18)14(8-3-4-8)22(16)9-2-1-5-20-7-9/h6,8-9,20H,1-5,7H2,(H2,19,23)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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 Mycobacterium tuberculosis H37RV InhA				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))	BDBM50261830 (CHEMBL4105379) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(I)n(C3CN4CCC3CC4)c2n1 |(33.51,-30.79,;33.51,-29.25,;32.17,-28.49,;34.84,-28.49,;34.84,-26.94,;36.17,-26.17,;36.17,-24.63,;37.5,-26.94,;38.97,-26.45,;39.44,-24.98,;39.89,-27.69,;41.43,-27.68,;38.98,-28.95,;39.47,-30.41,;40.98,-30.71,;41.46,-32.18,;40.43,-33.33,;38.92,-33.01,;38.44,-31.55,;39.86,-31.35,;39.72,-32.56,;37.51,-28.48,;36.18,-29.26,)| Show InChI InChI=1S/C15H15Cl2IN4O/c16-8-5-9(14(19)23)20-15-11(8)12(17)13(18)22(15)10-6-21-3-1-7(10)2-4-21/h5,7,10H,1-4,6H2,(H2,19,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50261864 (CHEMBL4100435) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CC3)n(C3CCCNC3)c2n1 Show InChI InChI=1S/C18H18Cl2N4O/c19-12-8-13(17(21)25)23-18-15(12)16(20)14(6-5-10-3-4-10)24(18)11-2-1-7-22-9-11/h8,10-11,22H,1-4,7,9H2,(H2,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	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-2 (Homo sapiens (Human))	BDBM50554401 (CHEMBL4778578) Show SMILES C[C@H](n1cc(C)c2c(Cl)cc(nc12)C(N)=O)[C@]1(F)CCNC1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PIM2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127625 BindingDB Entry DOI: 10.7270/Q2Z3239C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50554405 (CHEMBL4759685) Show SMILES [H][C@@]1(CCNC[C@H]1F)[C@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PIM2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127625 BindingDB Entry DOI: 10.7270/Q2Z3239C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50261826 (CHEMBL4084988) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(I)n(C3CCCNC3)c2n1 Show InChI InChI=1S/C13H13Cl2IN4O/c14-7-4-8(12(17)21)19-13-9(7)10(15)11(16)20(13)6-2-1-3-18-5-6/h4,6,18H,1-3,5H2,(H2,17,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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-2 (Homo sapiens (Human))	BDBM50261827 (CHEMBL4070441) Show SMILES NC1CCC(CC1)n1c(I)c(Cl)c2c(Cl)cc(nc12)C(N)=O |(71.97,-24.68,;71.49,-23.21,;69.98,-22.89,;69.5,-21.44,;70.53,-20.3,;72.04,-20.6,;72.52,-22.06,;70.05,-18.83,;70.95,-17.58,;72.49,-17.57,;70.03,-16.34,;70.5,-14.87,;68.57,-16.82,;67.24,-16.06,;67.23,-14.52,;65.91,-16.83,;65.91,-18.37,;67.24,-19.15,;68.58,-18.37,;64.57,-19.14,;64.57,-20.68,;63.24,-18.37,)| Show InChI InChI=1S/C14H15Cl2IN4O/c15-8-5-9(13(19)22)20-14-10(8)11(16)12(17)21(14)7-3-1-6(18)2-4-7/h5-7H,1-4,18H2,(H2,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50049680 (6-(4,5-Dihydro-1H-imidazol-2-yl)-2-ethoxy-10,10-di...) Show SMILES CCOc1ccc2c(c1)C(=O)c1ccc(cc1S2(=O)=O)C1=NCCN1 |t:23| Show InChI InChI=1S/C18H16N2O4S/c1-2-24-12-4-6-15-14(10-12)17(21)13-5-3-11(18-19-7-8-20-18)9-16(13)25(15,22)23/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against rat brain mitochondrial monoamine oxidase A				J Med Chem 39: 1857-63 (1996) Article DOI: 10.1021/jm950595m BindingDB Entry DOI: 10.7270/Q2TM796B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50261832 (CHEMBL4086532) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(I)n(C3CCCC(O)C3)c2n1 Show InChI InChI=1S/C14H14Cl2IN3O2/c15-8-5-9(13(18)22)19-14-10(8)11(16)12(17)20(14)6-2-1-3-7(21)4-6/h5-7,21H,1-4H2,(H2,18,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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

Displayed 1 to 50 (of 216 total )  |  Next  |  Last  >>

Jump to: