Compile Data Set for Download or QSAR

Found 35813 hits with Last Name = 'lin' and Initial = 'm'   

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))	BDBM106896 (US8592455, 96) Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)| Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM106896 (US8592455, 96) Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)| Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM106803 (US8592455, 3) Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)| Show InChI InChI=1S/C23H23F3N6O2/c1-11-9-32(10-16(28)22(11)33)18-5-6-29-8-17(18)30-23(34)21-15(27)7-14(26)20(31-21)19-12(24)3-2-4-13(19)25/h2-8,11,16,22,33H,9-10,27-28H2,1H3,(H,30,34)/t11-,16+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM149478 (US8975261, I-46) Show SMILES Cc1nn(C)c(C)c1-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc2ccccc2n1 |r,wU:17.18,wD:19.22,(-.31,2.36,;1.02,3.13,;2.49,2.65,;3.39,3.9,;4.73,4.67,;2.49,5.14,;3.26,6.48,;1.02,4.67,;-.31,5.44,;-.31,6.98,;-1.65,7.75,;-2.98,6.98,;-4.31,7.75,;-2.98,5.44,;-1.65,4.67,;-1.65,3.13,;-2.42,1.79,;-1.65,.46,;-.31,-.31,;-1.65,-1.08,;-2.42,-2.41,;-3.96,-2.41,;-4.73,-3.75,;-3.96,-5.08,;-4.73,-6.41,;-3.96,-7.75,;-2.42,-7.75,;-1.65,-6.41,;-2.42,-5.08,;-1.65,-3.75,)| Show InChI InChI=1S/C24H25N5O/c1-14-23(15(2)29(4)28-14)20-12-25-16(3)26-24(20)30-13-18-11-19(18)22-10-9-17-7-5-6-8-21(17)27-22/h5-10,12,18-19H,11,13H2,1-4H3/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exper...				US Patent US8975261 (2015) BindingDB Entry DOI: 10.7270/Q2JS9P5F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM106803 (US8592455, 3) Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)| Show InChI InChI=1S/C23H23F3N6O2/c1-11-9-32(10-16(28)22(11)33)18-5-6-29-8-17(18)30-23(34)21-15(27)7-14(26)20(31-21)19-12(24)3-2-4-13(19)25/h2-8,11,16,22,33H,9-10,27-28H2,1H3,(H,30,34)/t11-,16+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50445124 (CHEMBL3103868) Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r| Show InChI InChI=1S/C22H22F2N6O/c23-14-4-1-5-15(24)20(14)17-7-6-16(26)21(28-17)22(31)29-18-11-27-9-8-19(18)30-10-2-3-13(25)12-30/h1,4-9,11,13H,2-3,10,12,25-26H2,(H,29,31)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by AlphaScreen assay				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM106896 (US8592455, 96) Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)| Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50445133 (CHEMBL3103869) Show SMILES N[C@@H]1CN(CC[C@H]1O)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r| Show InChI InChI=1S/C22H22F2N6O2/c23-12-2-1-3-13(24)20(12)16-5-4-14(25)21(28-16)22(32)29-17-10-27-8-6-18(17)30-9-7-19(31)15(26)11-30/h1-6,8,10,15,19,31H,7,9,11,25-26H2,(H,29,32)/t15-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM106803 (US8592455, 3) Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)| Show InChI InChI=1S/C23H23F3N6O2/c1-11-9-32(10-16(28)22(11)33)18-5-6-29-8-17(18)30-23(34)21-15(27)7-14(26)20(31-21)19-12(24)3-2-4-13(19)25/h2-8,11,16,22,33H,9-10,27-28H2,1H3,(H,30,34)/t11-,16+,22+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50445124 (CHEMBL3103868) Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r| Show InChI InChI=1S/C22H22F2N6O/c23-14-4-1-5-15(24)20(14)17-7-6-16(26)21(28-17)22(31)29-18-11-27-9-8-19(18)30-10-2-3-13(25)12-30/h1,4-9,11,13H,2-3,10,12,25-26H2,(H,29,31)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by AlphaScreen assay				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50098576 (5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2cc(OCCN3CCOCC3)ccc2o1)C(=O)N[C@H]1CCCN(CC1=O)C(=O)Cc1cccc(c1)-c1ccccn1 Show InChI InChI=1S/C40H47N5O7/c1-27(2)21-34(43-40(49)37-25-30-24-31(11-12-36(30)52-37)51-20-17-44-15-18-50-19-16-44)39(48)42-33-10-6-14-45(26-35(33)46)38(47)23-28-7-5-8-29(22-28)32-9-3-4-13-41-32/h3-5,7-9,11-13,22,24-25,27,33-34H,6,10,14-21,23,26H2,1-2H3,(H,42,48)(H,43,49)/t33-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	0.00480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Human cathepsin K				J Med Chem 44: 1380-95 (2001) BindingDB Entry DOI: 10.7270/Q2QR4WDC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50445133 (CHEMBL3103869) Show SMILES N[C@@H]1CN(CC[C@H]1O)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r| Show InChI InChI=1S/C22H22F2N6O2/c23-12-2-1-3-13(24)20(12)16-5-4-14(25)21(28-16)22(32)29-17-10-27-8-6-18(17)30-9-7-19(31)15(26)11-30/h1-6,8,10,15,19,31H,7,9,11,25-26H2,(H,29,32)/t15-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50280055 (50285557 | 7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-...) Show SMILES CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O Show InChI InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21?,23?,25?,26-,27?,32+,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by PDSP Ki Database									Biochem Biophys Res Commun 184: 752-9 (1992) Article DOI: 10.1016/0006-291x(92)90654-4 BindingDB Entry DOI: 10.7270/Q2ST7NB1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM106870 (US8592455, 70) Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)| Show InChI InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM1 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay				J Med Chem 58: 8373-86 (2015) Article DOI: 10.1021/acs.jmedchem.5b01275 BindingDB Entry DOI: 10.7270/Q2H41VGN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50445124 (CHEMBL3103868) Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r| Show InChI InChI=1S/C22H22F2N6O/c23-14-4-1-5-15(24)20(14)17-7-6-16(26)21(28-17)22(31)29-18-11-27-9-8-19(18)30-10-2-3-13(25)12-30/h1,4-9,11,13H,2-3,10,12,25-26H2,(H,29,31)/t13-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by AlphaScreen assay				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50131251 ((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C42H51N11O5/c43-38(55)34(22-29-24-48-32-17-8-7-16-31(29)32)52-39(56)33(18-10-20-47-42(44)45)51-40(57)35(21-28-13-5-2-6-14-28)53-41(58)36(23-30-25-46-26-49-30)50-37(54)19-9-15-27-11-3-1-4-12-27/h1-8,11-14,16-17,24-26,33-36,48H,9-10,15,18-23H2,(H2,43,55)(H,46,49)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,44,45,47)/t33-,34-,35-,36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cincinnati Curated by ChEMBL					Assay Description Binding affinity towards human Melanocortin 1 receptor (hMC1R)				Bioorg Med Chem Lett 13: 2647-50 (2003) BindingDB Entry DOI: 10.7270/Q2474BD9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50445133 (CHEMBL3103869) Show SMILES N[C@@H]1CN(CC[C@H]1O)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r| Show InChI InChI=1S/C22H22F2N6O2/c23-12-2-1-3-13(24)20(12)16-5-4-14(25)21(28-16)22(32)29-17-10-27-8-6-18(17)30-9-7-19(31)15(26)11-30/h1-6,8,10,15,19,31H,7,9,11,25-26H2,(H,29,32)/t15-,19-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM106870 (US8592455, 70) Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)| Show InChI InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM3 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay				J Med Chem 58: 8373-86 (2015) Article DOI: 10.1021/acs.jmedchem.5b01275 BindingDB Entry DOI: 10.7270/Q2H41VGN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299749 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES Cn1cnc(c1)-c1cnc(N)c(OCC2CCN(CC2)c2nc(OCC3(CC3)C#N)nc(n2)C(=O)NC23CC(C2)C3)c1 Show InChI InChI=1S/C29H34N10O3/c1-38-13-21(33-17-38)20-8-22(23(31)32-12-20)41-14-18-2-6-39(7-3-18)26-34-24(25(40)37-29-9-19(10-29)11-29)35-27(36-26)42-16-28(15-30)4-5-28/h8,12-13,17-19H,2-7,9-11,14,16H2,1H3,(H2,31,32)(H,37,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM435691 (US10570121, Example 197 | US10570121, Example 198) Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCc2c(C)cc(C(C)C3COC3)c(Cl)c2C1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description A. Compound preparation1. Prepare 10 mM stock solutions in 100% DMSO from solid material2. Serial dilute 10 mM compound stocks either 2 or 3-fold in ...				US Patent US10570121 (2020) BindingDB Entry DOI: 10.7270/Q28W3GQD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM435577 (US10570121, Example 87) Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)cc(C(C)C3CN(C)C3)c(Cl)c2C1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description A. Compound preparation1. Prepare 10 mM stock solutions in 100% DMSO from solid material2. Serial dilute 10 mM compound stocks either 2 or 3-fold in ...				US Patent US10570121 (2020) BindingDB Entry DOI: 10.7270/Q28W3GQD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299749 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES Cn1cnc(c1)-c1cnc(N)c(OCC2CCN(CC2)c2nc(OCC3(CC3)C#N)nc(n2)C(=O)NC23CC(C2)C3)c1 Show InChI InChI=1S/C29H34N10O3/c1-38-13-21(33-17-38)20-8-22(23(31)32-12-20)41-14-18-2-6-39(7-3-18)26-34-24(25(40)37-29-9-19(10-29)11-29)35-27(36-26)42-16-28(15-30)4-5-28/h8,12-13,17-19H,2-7,9-11,14,16H2,1H3,(H2,31,32)(H,37,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299902 (6-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES C[C@H](CO)NC(=O)c1nc(OC[C@H]2CCCO2)nc(n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1 |r| Show InChI InChI=1S/C27H37N9O5/c1-17(13-37)31-25(38)24-32-26(34-27(33-24)41-15-20-4-3-9-39-20)36-7-5-18(6-8-36)14-40-22-10-19(11-29-23(22)28)21-12-35(2)16-30-21/h10-12,16-18,20,37H,3-9,13-15H2,1-2H3,(H2,28,29)(H,31,38)/t17-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299902 (6-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES C[C@H](CO)NC(=O)c1nc(OC[C@H]2CCCO2)nc(n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1 |r| Show InChI InChI=1S/C27H37N9O5/c1-17(13-37)31-25(38)24-32-26(34-27(33-24)41-15-20-4-3-9-39-20)36-7-5-18(6-8-36)14-40-22-10-19(11-29-23(22)28)21-12-35(2)16-30-21/h10-12,16-18,20,37H,3-9,13-15H2,1-2H3,(H2,28,29)(H,31,38)/t17-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50271367 (CHEMBL489454 | N-Methyl-N-(1,2,3,4-tetrahydroacrid...) Show SMILES CN(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C34H43N5/c1-39(24-12-22-36-34-27-15-4-8-19-31(27)38-32-20-9-5-16-28(32)34)23-11-10-21-35-33-25-13-2-6-17-29(25)37-30-18-7-3-14-26(30)33/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,35,37)(H,36,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human acetylcholine esterase				ACS Med Chem Lett 4: 1178-82 (2013) Article DOI: 10.1021/ml4002908 BindingDB Entry DOI: 10.7270/Q2TQ6318
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299975 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES Cn1cnc(c1)-c1cnc(N)c(OCC2CCN(CC2)c2nc(OCC3(CC3)C#N)nc(n2)C(=O)NC2(C)CCC2)c1 Show InChI InChI=1S/C29H36N10O3/c1-28(6-3-7-28)37-25(40)24-34-26(36-27(35-24)42-17-29(16-30)8-9-29)39-10-4-19(5-11-39)15-41-22-12-20(13-32-23(22)31)21-14-38(2)18-33-21/h12-14,18-19H,3-11,15,17H2,1-2H3,(H2,31,32)(H,37,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299975 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES Cn1cnc(c1)-c1cnc(N)c(OCC2CCN(CC2)c2nc(OCC3(CC3)C#N)nc(n2)C(=O)NC2(C)CCC2)c1 Show InChI InChI=1S/C29H36N10O3/c1-28(6-3-7-28)37-25(40)24-34-26(36-27(35-24)42-17-29(16-30)8-9-29)39-10-4-19(5-11-39)15-41-22-12-20(13-32-23(22)31)21-14-38(2)18-33-21/h12-14,18-19H,3-11,15,17H2,1-2H3,(H2,31,32)(H,37,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300035 (2-(benzyloxy)-N- [(2R)-1- hydroxypropan-2- yl]-6-[...) Show SMILES COc1ccnc2[nH]nc(C3CCN(CC3)c3cc(nc(OCc4ccccc4)n3)C(=O)N[C@H](C)CO)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300077 (N-(3-amino-3- methylbutan- 2-yl)-2- (cyclo- propyl...) Show SMILES COc1ccnc2[nH]cc(C3CCN(CC3)c3cc(nc(OCC4CC4)n3)C(=O)NC(C)C(C)(C)N)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300077 (N-(3-amino-3- methylbutan- 2-yl)-2- (cyclo- propyl...) Show SMILES COc1ccnc2[nH]cc(C3CCN(CC3)c3cc(nc(OCC4CC4)n3)C(=O)NC(C)C(C)(C)N)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300079 (N-[(2R)-1- hydroxypropan-2- yl]-6-[4-(4- methoxy-1...) Show SMILES COc1ccnc2[nH]cc(C3CCN(CC3)c3cc(nc(OC[C@H]4CCCO4)n3)C(=O)N[C@H](C)CO)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300079 (N-[(2R)-1- hydroxypropan-2- yl]-6-[4-(4- methoxy-1...) Show SMILES COc1ccnc2[nH]cc(C3CCN(CC3)c3cc(nc(OC[C@H]4CCCO4)n3)C(=O)N[C@H](C)CO)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300035 (2-(benzyloxy)-N- [(2R)-1- hydroxypropan-2- yl]-6-[...) Show SMILES COc1ccnc2[nH]nc(C3CCN(CC3)c3cc(nc(OCc4ccccc4)n3)C(=O)N[C@H](C)CO)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300011 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES C[C@H](NC(=O)c1nc(OCC2CC2)nc(n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1)C(F)(F)F |r| Show InChI InChI=1S/C26H32F3N9O3/c1-15(26(27,28)29)33-23(39)22-34-24(36-25(35-22)41-13-16-3-4-16)38-7-5-17(6-8-38)12-40-20-9-18(10-31-21(20)30)19-11-37(2)14-32-19/h9-11,14-17H,3-8,12-13H2,1-2H3,(H2,30,31)(H,33,39)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	<0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300011 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES C[C@H](NC(=O)c1nc(OCC2CC2)nc(n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1)C(F)(F)F |r| Show InChI InChI=1S/C26H32F3N9O3/c1-15(26(27,28)29)33-23(39)22-34-24(36-25(35-22)41-13-16-3-4-16)38-7-5-17(6-8-38)12-40-20-9-18(10-31-21(20)30)19-11-37(2)14-32-19/h9-11,14-17H,3-8,12-13H2,1-2H3,(H2,30,31)(H,33,39)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	<0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50033535 (CHEMBL331883 | N-[(3R,4S)-1-((R)-2-Hydroxy-2-pheny...) Show SMILES CCC(=O)N([C@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3/t18-,21+,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1				J Med Chem 43: 381-91 (2000) BindingDB Entry DOI: 10.7270/Q2DN45RB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300088 (N-[(2R)-1- hydroxypropan-2- yl]-2-[(2R)-2- methoxy...) Show SMILES CO[C@H](C)COc1nc(cc(n1)C(=O)N[C@H](C)CO)N1CCC(CC1)c1c[nH]c2nccc(OC)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300088 (N-[(2R)-1- hydroxypropan-2- yl]-2-[(2R)-2- methoxy...) Show SMILES CO[C@H](C)COc1nc(cc(n1)C(=O)N[C@H](C)CO)N1CCC(CC1)c1c[nH]c2nccc(OC)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299998 (N-[(2R)-1- hydroxypropan-2- yl]-6-[4-(4- methoxy-1...) Show SMILES COc1ccnc2[nH]nc(C3CCN(CC3)c3cc(nc(OC[C@H]4CCCO4)n3)C(=O)N[C@H](C)CO)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299931 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES CC(C)NC(=O)c1nc(OC[C@H]2CC2(F)F)nc(n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1 |r| Show InChI InChI=1S/C26H33F2N9O3/c1-15(2)32-23(38)22-33-24(35-25(34-22)40-13-18-9-26(18,27)28)37-6-4-16(5-7-37)12-39-20-8-17(10-30-21(20)29)19-11-36(3)14-31-19/h8,10-11,14-16,18H,4-7,9,12-13H2,1-3H3,(H2,29,30)(H,32,38)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299931 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES CC(C)NC(=O)c1nc(OC[C@H]2CC2(F)F)nc(n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1 |r| Show InChI InChI=1S/C26H33F2N9O3/c1-15(2)32-23(38)22-33-24(35-25(34-22)40-13-18-9-26(18,27)28)37-6-4-16(5-7-37)12-39-20-8-17(10-30-21(20)29)19-11-36(3)14-31-19/h8,10-11,14-16,18H,4-7,9,12-13H2,1-3H3,(H2,29,30)(H,32,38)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299998 (N-[(2R)-1- hydroxypropan-2- yl]-6-[4-(4- methoxy-1...) Show SMILES COc1ccnc2[nH]nc(C3CCN(CC3)c3cc(nc(OC[C@H]4CCCO4)n3)C(=O)N[C@H](C)CO)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299744 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES Cn1cnc(c1)-c1cnc(N)c(OCC2CCN(CC2)c2nc(OCC3(CC3)C#N)nc(n2)C(=O)NC2CCC2)c1 Show InChI InChI=1S/C28H34N10O3/c1-37-13-21(32-17-37)19-11-22(23(30)31-12-19)40-14-18-5-9-38(10-6-18)26-34-24(25(39)33-20-3-2-4-20)35-27(36-26)41-16-28(15-29)7-8-28/h11-13,17-18,20H,2-10,14,16H2,1H3,(H2,30,31)(H,33,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299744 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES Cn1cnc(c1)-c1cnc(N)c(OCC2CCN(CC2)c2nc(OCC3(CC3)C#N)nc(n2)C(=O)NC2CCC2)c1 Show InChI InChI=1S/C28H34N10O3/c1-37-13-21(32-17-37)19-11-22(23(30)31-12-19)40-14-18-5-9-38(10-6-18)26-34-24(25(39)33-20-3-2-4-20)35-27(36-26)41-16-28(15-29)7-8-28/h11-13,17-18,20H,2-10,14,16H2,1H3,(H2,30,31)(H,33,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299909 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES C[C@H](NC(=O)c1nc(OC[C@H]2CCCO2)nc(n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1)C(F)(F)F |r| Show InChI InChI=1S/C27H34F3N9O4/c1-16(27(28,29)30)34-24(40)23-35-25(37-26(36-23)43-14-19-4-3-9-41-19)39-7-5-17(6-8-39)13-42-21-10-18(11-32-22(21)31)20-12-38(2)15-33-20/h10-12,15-17,19H,3-9,13-14H2,1-2H3,(H2,31,32)(H,34,40)/t16-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300012 (N-(2- methoxyethyl)-6- [4-(4-methoxy-1H- pyrrolo[2...) Show SMILES COCCNC(=O)c1cc(nc(OC[C@H]2CCCO2)n1)N1CCC(CC1)c1c[nH]c2nccc(OC)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300012 (N-(2- methoxyethyl)-6- [4-(4-methoxy-1H- pyrrolo[2...) Show SMILES COCCNC(=O)c1cc(nc(OC[C@H]2CCCO2)n1)N1CCC(CC1)c1c[nH]c2nccc(OC)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299909 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES C[C@H](NC(=O)c1nc(OC[C@H]2CCCO2)nc(n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1)C(F)(F)F |r| Show InChI InChI=1S/C27H34F3N9O4/c1-16(27(28,29)30)34-24(40)23-35-25(37-26(36-23)43-14-19-4-3-9-41-19)39-7-5-17(6-8-39)13-42-21-10-18(11-32-22(21)31)20-12-38(2)15-33-20/h10-12,15-17,19H,3-9,13-14H2,1-2H3,(H2,31,32)(H,34,40)/t16-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50387298 (CHEMBL2048872) Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14| Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50387298 (CHEMBL2048872) Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14| Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM1 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay				J Med Chem 58: 8373-86 (2015) Article DOI: 10.1021/acs.jmedchem.5b01275 BindingDB Entry DOI: 10.7270/Q2H41VGN
					More data for this Ligand-Target Pair

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