Compile Data Set for Download or QSAR

Found 291 hits with Last Name = 'nagano' and Initial = 't'   

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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50232782 (CHEMBL4083975) Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2nc(F)ccc12 Show InChI InChI=1S/C22H21FN4O3/c1-29-17-4-2-15-20(28)18(10-13-11-25-22-14(13)3-5-19(23)26-22)30-21(15)16(17)12-27-8-6-24-7-9-27/h2-5,10-11,24H,6-9,12H2,1H3,(H,25,26)/b18-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				ACS Med Chem Lett 8: 504-509 (2017) Article DOI: 10.1021/acsmedchemlett.6b00518 BindingDB Entry DOI: 10.7270/Q2N58PK5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50232778 (CHEMBL4062256) Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2nc(Cl)ccc12 Show InChI InChI=1S/C22H21ClN4O3/c1-29-17-4-2-15-20(28)18(10-13-11-25-22-14(13)3-5-19(23)26-22)30-21(15)16(17)12-27-8-6-24-7-9-27/h2-5,10-11,24H,6-9,12H2,1H3,(H,25,26)/b18-10-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PIM3 (1 to 326 end residues) expressed in baculovirus infected sf21 cells using S6K...				ACS Med Chem Lett 8: 504-509 (2017) Article DOI: 10.1021/acsmedchemlett.6b00518 BindingDB Entry DOI: 10.7270/Q2N58PK5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50232778 (CHEMBL4062256) Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2nc(Cl)ccc12 Show InChI InChI=1S/C22H21ClN4O3/c1-29-17-4-2-15-20(28)18(10-13-11-25-22-14(13)3-5-19(23)26-22)30-21(15)16(17)12-27-8-6-24-7-9-27/h2-5,10-11,24H,6-9,12H2,1H3,(H,25,26)/b18-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				ACS Med Chem Lett 8: 504-509 (2017) Article DOI: 10.1021/acsmedchemlett.6b00518 BindingDB Entry DOI: 10.7270/Q2N58PK5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50232778 (CHEMBL4062256) Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2nc(Cl)ccc12 Show InChI InChI=1S/C22H21ClN4O3/c1-29-17-4-2-15-20(28)18(10-13-11-25-22-14(13)3-5-19(23)26-22)30-21(15)16(17)12-27-8-6-24-7-9-27/h2-5,10-11,24H,6-9,12H2,1H3,(H,25,26)/b18-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His-tagged PIM1 (1 to 313 end residues) expressed in baculovirus infected sf21 cells using S6K...				ACS Med Chem Lett 8: 504-509 (2017) Article DOI: 10.1021/acsmedchemlett.6b00518 BindingDB Entry DOI: 10.7270/Q2N58PK5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50232779 (CHEMBL4060711) Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2nc(C)ccc12 Show InChI InChI=1S/C23H24N4O3/c1-14-3-4-16-15(12-25-23(16)26-14)11-20-21(28)17-5-6-19(29-2)18(22(17)30-20)13-27-9-7-24-8-10-27/h3-6,11-12,24H,7-10,13H2,1-2H3,(H,25,26)/b20-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				ACS Med Chem Lett 8: 504-509 (2017) Article DOI: 10.1021/acsmedchemlett.6b00518 BindingDB Entry DOI: 10.7270/Q2N58PK5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50499276 (CHEMBL3735861) Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCN[C@@H](C)C1)=C\c1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C22H23N5O3/c1-13-11-27(9-8-23-13)12-16-18(29-2)6-5-15-20(28)19(30-21(15)16)10-17-14-4-3-7-24-22(14)26-25-17/h3-7,10,13,23H,8-9,11-12H2,1-2H3,(H,24,25,26)/b19-10-/t13-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay				Bioorg Med Chem Lett 25: 5687-93 (2015) Article DOI: 10.1016/j.bmcl.2015.10.098 BindingDB Entry DOI: 10.7270/Q2JD50SX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50391948 (CHEMBL2147767) Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2ncccc12 |w:19.22| Show InChI InChI=1S/C22H22N4O3/c1-28-18-5-4-16-20(27)19(11-14-12-25-22-15(14)3-2-6-24-22)29-21(16)17(18)13-26-9-7-23-8-10-26/h2-6,11-12,23H,7-10,13H2,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				ACS Med Chem Lett 8: 504-509 (2017) Article DOI: 10.1021/acsmedchemlett.6b00518 BindingDB Entry DOI: 10.7270/Q2N58PK5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50232780 (CHEMBL4061176) Show SMILES Oc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2nc(Cl)ccc12 Show InChI InChI=1S/C21H19ClN4O3/c22-18-4-2-13-12(10-24-21(13)25-18)9-17-19(28)14-1-3-16(27)15(20(14)29-17)11-26-7-5-23-6-8-26/h1-4,9-10,23,27H,5-8,11H2,(H,24,25)/b17-9-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PIM3 (1 to 326 end residues) expressed in baculovirus infected sf21 cells using S6K...				ACS Med Chem Lett 8: 504-509 (2017) Article DOI: 10.1021/acsmedchemlett.6b00518 BindingDB Entry DOI: 10.7270/Q2N58PK5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50232785 (CHEMBL4074201) Show SMILES CCc1ccc2c(\C=C3/Oc4c(ccc(OC)c4CN4CCNCC4)C3=O)c[nH]c2n1 Show InChI InChI=1S/C24H26N4O3/c1-3-16-4-5-17-15(13-26-24(17)27-16)12-21-22(29)18-6-7-20(30-2)19(23(18)31-21)14-28-10-8-25-9-11-28/h4-7,12-13,25H,3,8-11,14H2,1-2H3,(H,26,27)/b21-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				ACS Med Chem Lett 8: 504-509 (2017) Article DOI: 10.1021/acsmedchemlett.6b00518 BindingDB Entry DOI: 10.7270/Q2N58PK5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50499277 (CHEMBL3735633) Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNC[C@@H]1C)=C\c1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C22H23N5O3/c1-13-11-23-8-9-27(13)12-16-18(29-2)6-5-15-20(28)19(30-21(15)16)10-17-14-4-3-7-24-22(14)26-25-17/h3-7,10,13,23H,8-9,11-12H2,1-2H3,(H,24,25,26)/b19-10-/t13-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay				Bioorg Med Chem Lett 25: 5687-93 (2015) Article DOI: 10.1016/j.bmcl.2015.10.098 BindingDB Entry DOI: 10.7270/Q2JD50SX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50232780 (CHEMBL4061176) Show SMILES Oc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2nc(Cl)ccc12 Show InChI InChI=1S/C21H19ClN4O3/c22-18-4-2-13-12(10-24-21(13)25-18)9-17-19(28)14-1-3-16(27)15(20(14)29-17)11-26-7-5-23-6-8-26/h1-4,9-10,23,27H,5-8,11H2,(H,24,25)/b17-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His-tagged PIM1 (1 to 313 end residues) expressed in baculovirus infected sf21 cells using S6K...				ACS Med Chem Lett 8: 504-509 (2017) Article DOI: 10.1021/acsmedchemlett.6b00518 BindingDB Entry DOI: 10.7270/Q2N58PK5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50391948 (CHEMBL2147767) Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2ncccc12 |w:19.22| Show InChI InChI=1S/C22H22N4O3/c1-28-18-5-4-16-20(27)19(11-14-12-25-22-15(14)3-2-6-24-22)29-21(16)17(18)13-26-9-7-23-8-10-26/h2-6,11-12,23H,7-10,13H2,1H3,(H,24,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay				Bioorg Med Chem Lett 25: 5687-93 (2015) Article DOI: 10.1016/j.bmcl.2015.10.098 BindingDB Entry DOI: 10.7270/Q2JD50SX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50232780 (CHEMBL4061176) Show SMILES Oc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2nc(Cl)ccc12 Show InChI InChI=1S/C21H19ClN4O3/c22-18-4-2-13-12(10-24-21(13)25-18)9-17-19(28)14-1-3-16(27)15(20(14)29-17)11-26-7-5-23-6-8-26/h1-4,9-10,23,27H,5-8,11H2,(H,24,25)/b17-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				ACS Med Chem Lett 8: 504-509 (2017) Article DOI: 10.1021/acsmedchemlett.6b00518 BindingDB Entry DOI: 10.7270/Q2N58PK5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50232786 (CHEMBL4092704) Show SMILES Oc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2nc(F)ccc12 Show InChI InChI=1S/C21H19FN4O3/c22-18-4-2-13-12(10-24-21(13)25-18)9-17-19(28)14-1-3-16(27)15(20(14)29-17)11-26-7-5-23-6-8-26/h1-4,9-10,23,27H,5-8,11H2,(H,24,25)/b17-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				ACS Med Chem Lett 8: 504-509 (2017) Article DOI: 10.1021/acsmedchemlett.6b00518 BindingDB Entry DOI: 10.7270/Q2N58PK5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50499281 (CHEMBL3735816) Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1n[nH]c2ncccc12 Show InChI InChI=1S/C21H21N5O3/c1-28-17-5-4-14-19(27)18(11-16-13-3-2-6-23-21(13)25-24-16)29-20(14)15(17)12-26-9-7-22-8-10-26/h2-6,11,22H,7-10,12H2,1H3,(H,23,24,25)/b18-11-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay				Bioorg Med Chem Lett 25: 5687-93 (2015) Article DOI: 10.1016/j.bmcl.2015.10.098 BindingDB Entry DOI: 10.7270/Q2JD50SX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50499279 (CHEMBL3735890) Show SMILES COc1ccc2C(=O)\C(Oc2c1C(C)N1CCNCC1)=C\c1n[nH]c2ncccc12 Show InChI InChI=1S/C22H23N5O3/c1-13(27-10-8-23-9-11-27)19-17(29-2)6-5-15-20(28)18(30-21(15)19)12-16-14-4-3-7-24-22(14)26-25-16/h3-7,12-13,23H,8-11H2,1-2H3,(H,24,25,26)/b18-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) by electrophoretic mobility shift assay				Bioorg Med Chem Lett 25: 5687-93 (2015) Article DOI: 10.1016/j.bmcl.2015.10.098 BindingDB Entry DOI: 10.7270/Q2JD50SX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50391946 (CHEMBL2147763) Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2ccccc12 Show InChI InChI=1S/C23H23N3O3/c1-28-20-7-6-17-22(27)21(12-15-13-25-19-5-3-2-4-16(15)19)29-23(17)18(20)14-26-10-8-24-9-11-26/h2-7,12-13,24-25H,8-11,14H2,1H3/b21-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				J Med Chem 55: 5151-64 (2012) Article DOI: 10.1021/jm3001289 BindingDB Entry DOI: 10.7270/Q2PC33G8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50391948 (CHEMBL2147767) Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2ncccc12 |w:19.22| Show InChI InChI=1S/C22H22N4O3/c1-28-18-5-4-16-20(27)19(11-14-12-25-22-15(14)3-2-6-24-22)29-21(16)17(18)13-26-9-7-23-8-10-26/h2-6,11-12,23H,7-10,13H2,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				J Med Chem 55: 5151-64 (2012) Article DOI: 10.1021/jm3001289 BindingDB Entry DOI: 10.7270/Q2PC33G8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50232777 (CHEMBL4102902) Show SMILES Oc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2ncccc12 Show InChI InChI=1S/C21H20N4O3/c26-17-4-3-15-19(27)18(10-13-11-24-21-14(13)2-1-5-23-21)28-20(15)16(17)12-25-8-6-22-7-9-25/h1-5,10-11,22,26H,6-9,12H2,(H,23,24)/b18-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				ACS Med Chem Lett 8: 504-509 (2017) Article DOI: 10.1021/acsmedchemlett.6b00518 BindingDB Entry DOI: 10.7270/Q2N58PK5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50232787 (CHEMBL4073609) Show SMILES CCCCc1ccc2c(\C=C3/Oc4c(ccc(OC)c4CN4CCNCC4)C3=O)c[nH]c2n1 Show InChI InChI=1S/C26H30N4O3/c1-3-4-5-18-6-7-19-17(15-28-26(19)29-18)14-23-24(31)20-8-9-22(32-2)21(25(20)33-23)16-30-12-10-27-11-13-30/h6-9,14-15,27H,3-5,10-13,16H2,1-2H3,(H,28,29)/b23-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				ACS Med Chem Lett 8: 504-509 (2017) Article DOI: 10.1021/acsmedchemlett.6b00518 BindingDB Entry DOI: 10.7270/Q2N58PK5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50499279 (CHEMBL3735890) Show SMILES COc1ccc2C(=O)\C(Oc2c1C(C)N1CCNCC1)=C\c1n[nH]c2ncccc12 Show InChI InChI=1S/C22H23N5O3/c1-13(27-10-8-23-9-11-27)19-17(29-2)6-5-15-20(28)18(30-21(15)19)12-16-14-4-3-7-24-22(14)26-25-16/h3-7,12-13,23H,8-11H2,1-2H3,(H,24,25,26)/b18-12-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay				Bioorg Med Chem Lett 25: 5687-93 (2015) Article DOI: 10.1016/j.bmcl.2015.10.098 BindingDB Entry DOI: 10.7270/Q2JD50SX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50391938 (CHEMBL2147845) Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1n[nH]c2ccccc12 Show InChI InChI=1S/C22H22N4O3/c1-28-19-7-6-15-21(27)20(12-18-14-4-2-3-5-17(14)24-25-18)29-22(15)16(19)13-26-10-8-23-9-11-26/h2-7,12,23H,8-11,13H2,1H3,(H,24,25)/b20-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				J Med Chem 55: 5151-64 (2012) Article DOI: 10.1021/jm3001289 BindingDB Entry DOI: 10.7270/Q2PC33G8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50499282 (CHEMBL3735657) Show SMILES COCCOc1ccc2C(=O)\C(Oc2c1C(C)N1CCNCC1)=C\c1n[nH]c2ncccc12 Show InChI InChI=1S/C24H27N5O4/c1-15(29-10-8-25-9-11-29)21-19(32-13-12-31-2)6-5-17-22(30)20(33-23(17)21)14-18-16-4-3-7-26-24(16)28-27-18/h3-7,14-15,25H,8-13H2,1-2H3,(H,26,27,28)/b20-14-	KEGG UniProtKB/SwissProt 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
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay				Bioorg Med Chem Lett 25: 5687-93 (2015) Article DOI: 10.1016/j.bmcl.2015.10.098 BindingDB Entry DOI: 10.7270/Q2JD50SX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50527415 (CHEMBL4529959) Show SMILES CCOC(=O)Cn1c(C)cc(=O)n2cc(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H16ClN3O3/c1-3-24-16(23)10-20-11(2)8-15(22)21-9-14(19-17(20)21)12-4-6-13(18)7-5-12/h4-9H,3,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of ATX in mouse plasma after 2 hrs by LC-MS/MS analysis				J Med Chem 63: 3188-3204 (2020) Article DOI: 10.1021/acs.jmedchem.9b01967 BindingDB Entry DOI: 10.7270/Q2C82DQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50232776 (CHEMBL4084953) Show SMILES Cc1ccc2c(\C=C3/Oc4c(ccc(O)c4CN4CCNCC4)C3=O)c[nH]c2n1 Show InChI InChI=1S/C22H22N4O3/c1-13-2-3-15-14(11-24-22(15)25-13)10-19-20(28)16-4-5-18(27)17(21(16)29-19)12-26-8-6-23-7-9-26/h2-5,10-11,23,27H,6-9,12H2,1H3,(H,24,25)/b19-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				ACS Med Chem Lett 8: 504-509 (2017) Article DOI: 10.1021/acsmedchemlett.6b00518 BindingDB Entry DOI: 10.7270/Q2N58PK5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50499275 (CHEMBL3736117) Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCN[C@H](C)C1)=C\c1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C22H23N5O3/c1-13-11-27(9-8-23-13)12-16-18(29-2)6-5-15-20(28)19(30-21(15)16)10-17-14-4-3-7-24-22(14)26-25-17/h3-7,10,13,23H,8-9,11-12H2,1-2H3,(H,24,25,26)/b19-10-/t13-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay				Bioorg Med Chem Lett 25: 5687-93 (2015) Article DOI: 10.1016/j.bmcl.2015.10.098 BindingDB Entry DOI: 10.7270/Q2JD50SX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50527415 (CHEMBL4529959) Show SMILES CCOC(=O)Cn1c(C)cc(=O)n2cc(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H16ClN3O3/c1-3-24-16(23)10-20-11(2)8-15(22)21-9-14(19-17(20)21)12-4-6-13(18)7-5-12/h4-9H,3,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) expressed in human HEK293 cells using TG-mTMP as substrate after 2 hrs by fluorescence based plate reader assay				J Med Chem 63: 3188-3204 (2020) Article DOI: 10.1021/acs.jmedchem.9b01967 BindingDB Entry DOI: 10.7270/Q2C82DQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50232784 (CHEMBL4094705) Show SMILES CCCc1ccc2c(\C=C3/Oc4c(ccc(OC)c4CN4CCNCC4)C3=O)c[nH]c2n1 Show InChI InChI=1S/C25H28N4O3/c1-3-4-17-5-6-18-16(14-27-25(18)28-17)13-22-23(30)19-7-8-21(31-2)20(24(19)32-22)15-29-11-9-26-10-12-29/h5-8,13-14,26H,3-4,9-12,15H2,1-2H3,(H,27,28)/b22-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				ACS Med Chem Lett 8: 504-509 (2017) Article DOI: 10.1021/acsmedchemlett.6b00518 BindingDB Entry DOI: 10.7270/Q2N58PK5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50391938 (CHEMBL2147845) Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1n[nH]c2ccccc12 Show InChI InChI=1S/C22H22N4O3/c1-28-19-7-6-15-21(27)20(12-18-14-4-2-3-5-17(14)24-25-18)29-22(15)16(19)13-26-10-8-23-9-11-26/h2-7,12,23H,8-11,13H2,1H3,(H,24,25)/b20-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 by electrophoretic mobility shift assay				J Med Chem 55: 5151-64 (2012) Article DOI: 10.1021/jm3001289 BindingDB Entry DOI: 10.7270/Q2PC33G8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50391947 (CHEMBL2147764) Show SMILES CCOc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2ccccc12 Show InChI InChI=1S/C24H25N3O3/c1-2-29-21-8-7-18-23(28)22(13-16-14-26-20-6-4-3-5-17(16)20)30-24(18)19(21)15-27-11-9-25-10-12-27/h3-8,13-14,25-26H,2,9-12,15H2,1H3/b22-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				J Med Chem 55: 5151-64 (2012) Article DOI: 10.1021/jm3001289 BindingDB Entry DOI: 10.7270/Q2PC33G8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50499279 (CHEMBL3735890) Show SMILES COc1ccc2C(=O)\C(Oc2c1C(C)N1CCNCC1)=C\c1n[nH]c2ncccc12 Show InChI InChI=1S/C22H23N5O3/c1-13(27-10-8-23-9-11-27)19-17(29-2)6-5-15-20(28)18(30-21(15)19)12-16-14-4-3-7-24-22(14)26-25-16/h3-7,12-13,23H,8-11H2,1-2H3,(H,24,25,26)/b18-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by electrophoretic mobility shift assay				Bioorg Med Chem Lett 25: 5687-93 (2015) Article DOI: 10.1016/j.bmcl.2015.10.098 BindingDB Entry DOI: 10.7270/Q2JD50SX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50499280 (CHEMBL3735412) Show SMILES CC(N1CCNCC1)c1c2O\C(=C/c3n[nH]c4ncccc34)C(=O)c2ccc1OCCO Show InChI InChI=1S/C23H25N5O4/c1-14(28-9-7-24-8-10-28)20-18(31-12-11-29)5-4-16-21(30)19(32-22(16)20)13-17-15-3-2-6-25-23(15)27-26-17/h2-6,13-14,24,29H,7-12H2,1H3,(H,25,26,27)/b19-13-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay				Bioorg Med Chem Lett 25: 5687-93 (2015) Article DOI: 10.1016/j.bmcl.2015.10.098 BindingDB Entry DOI: 10.7270/Q2JD50SX
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50162967 (CHEMBL3792850) Show SMILES O=C(Nc1ccc(CN2CCN(CC2)c2ccccc2)cc1)c1n[nH]c2ccccc12 Show InChI InChI=1S/C25H25N5O/c31-25(24-22-8-4-5-9-23(22)27-28-24)26-20-12-10-19(11-13-20)18-29-14-16-30(17-15-29)21-6-2-1-3-7-21/h1-13H,14-18H2,(H,26,31)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged FLT3 cytoplasmic domain (564 to 993 residues) expressed in baculovirus expression system using fluorescence...				Bioorg Med Chem Lett 26: 2370-4 (2016) Article DOI: 10.1016/j.bmcl.2016.03.006 BindingDB Entry DOI: 10.7270/Q2TX3H89
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50527451 (CHEMBL4515130) Show SMILES CCCCCn1c(C)cc(=O)n2cc(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H20ClN3O/c1-3-4-5-10-21-13(2)11-17(23)22-12-16(20-18(21)22)14-6-8-15(19)9-7-14/h6-9,11-12H,3-5,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of ATX in mouse plasma after 2 hrs by LC-MS/MS analysis				J Med Chem 63: 3188-3204 (2020) Article DOI: 10.1021/acs.jmedchem.9b01967 BindingDB Entry DOI: 10.7270/Q2C82DQX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50527434 (CHEMBL4466454) Show SMILES CCCCCCn1c(C)cc(=O)n2cc(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H22ClN3O/c1-3-4-5-6-11-22-14(2)12-18(24)23-13-17(21-19(22)23)15-7-9-16(20)10-8-15/h7-10,12-13H,3-6,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of ATX in mouse plasma after 2 hrs by LC-MS/MS analysis				J Med Chem 63: 3188-3204 (2020) Article DOI: 10.1021/acs.jmedchem.9b01967 BindingDB Entry DOI: 10.7270/Q2C82DQX
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50162967 (CHEMBL3792850) Show SMILES O=C(Nc1ccc(CN2CCN(CC2)c2ccccc2)cc1)c1n[nH]c2ccccc12 Show InChI InChI=1S/C25H25N5O/c31-25(24-22-8-4-5-9-23(22)27-28-24)26-20-12-10-19(11-13-20)18-29-14-16-30(17-15-29)21-6-2-1-3-7-21/h1-13H,14-18H2,(H,26,31)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged FLT3 cytoplasmic domain (564 to 993 residues) expressed in baculovirus expression system using 5-FAM-peptid...				Bioorg Med Chem Lett 26: 2370-4 (2016) Article DOI: 10.1016/j.bmcl.2016.03.006 BindingDB Entry DOI: 10.7270/Q2TX3H89
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase 2 (Danio rerio)	BDBM103570 (ATX inhibitor 18) Show SMILES CN(CC(=O)NNS(C)(=O)=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H14ClN3O5S2/c1-14(7-10(15)12-13-20(2,16)17)21(18,19)9-5-3-8(11)4-6-9/h3-6,13H,7H2,1-2H3,(H,12,15)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo									ACS Chem Biol 8: 1713-21 (2013) Article DOI: 10.1021/cb400150c BindingDB Entry DOI: 10.7270/Q29022DC
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50527442 (CHEMBL4465067) Show SMILES CCOCCn1c(C)cc(=O)n2cc(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H18ClN3O2/c1-3-23-9-8-20-12(2)10-16(22)21-11-15(19-17(20)21)13-4-6-14(18)7-5-13/h4-7,10-11H,3,8-9H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of ATX in mouse plasma after 2 hrs by LC-MS/MS analysis				J Med Chem 63: 3188-3204 (2020) Article DOI: 10.1021/acs.jmedchem.9b01967 BindingDB Entry DOI: 10.7270/Q2C82DQX
					More data for this Ligand-Target Pair
Death-associated protein kinase 1 (Homo sapiens (Human))	BDBM50499279 (CHEMBL3735890) Show SMILES COc1ccc2C(=O)\C(Oc2c1C(C)N1CCNCC1)=C\c1n[nH]c2ncccc12 Show InChI InChI=1S/C22H23N5O3/c1-13(27-10-8-23-9-11-27)19-17(29-2)6-5-15-20(28)18(30-21(15)19)12-16-14-4-3-7-24-22(14)26-25-16/h3-7,12-13,23H,8-11H2,1-2H3,(H,24,25,26)/b18-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of DAPK1 (unknown origin) by electrophoretic mobility shift assay				Bioorg Med Chem Lett 25: 5687-93 (2015) Article DOI: 10.1016/j.bmcl.2015.10.098 BindingDB Entry DOI: 10.7270/Q2JD50SX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50391942 (CHEMBL2147765) Show SMILES CCCOc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2ccccc12 Show InChI InChI=1S/C25H27N3O3/c1-2-13-30-22-8-7-19-24(29)23(14-17-15-27-21-6-4-3-5-18(17)21)31-25(19)20(22)16-28-11-9-26-10-12-28/h3-8,14-15,26-27H,2,9-13,16H2,1H3/b23-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				J Med Chem 55: 5151-64 (2012) Article DOI: 10.1021/jm3001289 BindingDB Entry DOI: 10.7270/Q2PC33G8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50527449 (CHEMBL4442653) Show SMILES CCOC(=O)Cn1c(C)cc(=O)n2cc(nc12)-c1ccc(Br)cc1 Show InChI InChI=1S/C17H16BrN3O3/c1-3-24-16(23)10-20-11(2)8-15(22)21-9-14(19-17(20)21)12-4-6-13(18)7-5-12/h4-9H,3,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of ATX in mouse plasma after 2 hrs by LC-MS/MS analysis				J Med Chem 63: 3188-3204 (2020) Article DOI: 10.1021/acs.jmedchem.9b01967 BindingDB Entry DOI: 10.7270/Q2C82DQX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50391938 (CHEMBL2147845) Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1n[nH]c2ccccc12 Show InChI InChI=1S/C22H22N4O3/c1-28-19-7-6-15-21(27)20(12-18-14-4-2-3-5-17(14)24-25-18)29-22(15)16(19)13-26-10-8-23-9-11-26/h2-7,12,23H,8-11,13H2,1H3,(H,24,25)/b20-12-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM3 by electrophoretic mobility shift assay				J Med Chem 55: 5151-64 (2012) Article DOI: 10.1021/jm3001289 BindingDB Entry DOI: 10.7270/Q2PC33G8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM103575 (ATX inhibitor 10 analogue 5 | US8551988, 65) Show SMILES OB(O)c1cccc(CN2CCN(CC2)C2=NC(=O)\C(S2)=C\c2ccc(Cl)c(Cl)c2)c1 |t:16| Show InChI InChI=1S/C21H20BCl2N3O3S/c23-17-5-4-14(11-18(17)24)12-19-20(28)25-21(31-19)27-8-6-26(7-9-27)13-15-2-1-3-16(10-15)22(29)30/h1-5,10-12,29-30H,6-9,13H2/b19-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo									ACS Chem Biol 8: 1713-21 (2013) Article DOI: 10.1021/cb400150c BindingDB Entry DOI: 10.7270/Q29022DC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM103575 (ATX inhibitor 10 analogue 5 | US8551988, 65) Show SMILES OB(O)c1cccc(CN2CCN(CC2)C2=NC(=O)\C(S2)=C\c2ccc(Cl)c(Cl)c2)c1 |t:16| Show InChI InChI=1S/C21H20BCl2N3O3S/c23-17-5-4-14(11-18(17)24)12-19-20(28)25-21(31-19)27-8-6-26(7-9-27)13-15-2-1-3-16(10-15)22(29)30/h1-5,10-12,29-30H,6-9,13H2/b19-12-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) expressed in human HEK293 cells using TG-mTMP as substrate after 2 hrs by fluorescence based plate reader assay				J Med Chem 63: 3188-3204 (2020) Article DOI: 10.1021/acs.jmedchem.9b01967 BindingDB Entry DOI: 10.7270/Q2C82DQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50334268 (CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign, Inc. Curated by ChEMBL					Assay Description Inhibition of ASK1 assessed as phosphorylated fluorescent peptide by mobility shift assay				Bioorg Med Chem 19: 486-9 (2011) Article DOI: 10.1016/j.bmc.2010.11.004 BindingDB Entry DOI: 10.7270/Q2JH3MGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50527429 (CHEMBL4593078) Show SMILES CCOC(=O)Cn1c(C)cc(=O)n2cc(nc12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H16N4O5/c1-3-26-16(23)10-19-11(2)8-15(22)20-9-14(18-17(19)20)12-4-6-13(7-5-12)21(24)25/h4-9H,3,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of ATX in mouse plasma after 2 hrs by LC-MS/MS analysis				J Med Chem 63: 3188-3204 (2020) Article DOI: 10.1021/acs.jmedchem.9b01967 BindingDB Entry DOI: 10.7270/Q2C82DQX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50334269 (4-tert-butyl-N-(imidazo[1,2-a]quinolin-2-yl)benzam...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2c(ccc3ccccc23)n1 Show InChI InChI=1S/C22H21N3O/c1-22(2,3)17-11-8-16(9-12-17)21(26)24-19-14-25-18-7-5-4-6-15(18)10-13-20(25)23-19/h4-14H,1-3H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign, Inc. Curated by ChEMBL					Assay Description Inhibition of ASK1 assessed as phosphorylated fluorescent peptide by mobility shift assay				Bioorg Med Chem 19: 486-9 (2011) Article DOI: 10.1016/j.bmc.2010.11.004 BindingDB Entry DOI: 10.7270/Q2JH3MGM
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50527459 (CHEMBL4581989) Show SMILES CCCCn1c(C)cc(=O)n2cc(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H18ClN3O/c1-3-4-9-20-12(2)10-16(22)21-11-15(19-17(20)21)13-5-7-14(18)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of ATX in mouse plasma after 2 hrs by LC-MS/MS analysis				J Med Chem 63: 3188-3204 (2020) Article DOI: 10.1021/acs.jmedchem.9b01967 BindingDB Entry DOI: 10.7270/Q2C82DQX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50527435 (CHEMBL4474913) Show SMILES CCCCCCCn1c(C)cc(=O)n2cc(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H24ClN3O/c1-3-4-5-6-7-12-23-15(2)13-19(25)24-14-18(22-20(23)24)16-8-10-17(21)11-9-16/h8-11,13-14H,3-7,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of ATX in mouse plasma after 2 hrs by LC-MS/MS analysis				J Med Chem 63: 3188-3204 (2020) Article DOI: 10.1021/acs.jmedchem.9b01967 BindingDB Entry DOI: 10.7270/Q2C82DQX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50232783 (CHEMBL4100433) Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2nc(ccc12)-c1ccccc1 Show InChI InChI=1S/C28H26N4O3/c1-34-24-10-8-21-26(33)25(35-27(21)22(24)17-32-13-11-29-12-14-32)15-19-16-30-28-20(19)7-9-23(31-28)18-5-3-2-4-6-18/h2-10,15-16,29H,11-14,17H2,1H3,(H,30,31)/b25-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay				ACS Med Chem Lett 8: 504-509 (2017) Article DOI: 10.1021/acsmedchemlett.6b00518 BindingDB Entry DOI: 10.7270/Q2N58PK5
					More data for this Ligand-Target Pair

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