Compile Data Set for Download or QSAR

Found 477 hits with Last Name = 'tao' and Initial = 'h'   

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
Smoothened homolog (Homo sapiens (Human))	BDBM50530450 (CHEMBL4562943) Show SMILES C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(OCC#C)cc1 |r| Show InChI InChI=1S/C20H17N5O3/c1-3-12-28-18-10-8-17(9-11-18)25-19(26)14(2)24(20(25)27)13-15-4-6-16(7-5-15)22-23-21/h1,4-11,14H,12-13H2,2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis				J Med Chem 62: 9983-9989 (2019) Article DOI: 10.1021/acs.jmedchem.9b00283 BindingDB Entry DOI: 10.7270/Q2CC1453
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50530450 (CHEMBL4562943) Show SMILES C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(OCC#C)cc1 |r| Show InChI InChI=1S/C20H17N5O3/c1-3-12-28-18-10-8-17(9-11-18)25-19(26)14(2)24(20(25)27)13-15-4-6-16(7-5-15)22-23-21/h1,4-11,14H,12-13H2,2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis				J Med Chem 62: 9983-9989 (2019) Article DOI: 10.1021/acs.jmedchem.9b00283 BindingDB Entry DOI: 10.7270/Q2CC1453
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50530459 (CHEMBL4570165) Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccnc(Nc2ccc3[nH]ncc3c2)n1 Show InChI InChI=1S/C18H12F3N5O/c19-18(20,21)27-14-4-1-11(2-5-14)15-7-8-22-17(25-15)24-13-3-6-16-12(9-13)10-23-26-16/h1-10H,(H,23,26)(H,22,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis				J Med Chem 62: 9983-9989 (2019) Article DOI: 10.1021/acs.jmedchem.9b00283 BindingDB Entry DOI: 10.7270/Q2CC1453
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50530459 (CHEMBL4570165) Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccnc(Nc2ccc3[nH]ncc3c2)n1 Show InChI InChI=1S/C18H12F3N5O/c19-18(20,21)27-14-4-1-11(2-5-14)15-7-8-22-17(25-15)24-13-3-6-16-12(9-13)10-23-26-16/h1-10H,(H,23,26)(H,22,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis				J Med Chem 62: 9983-9989 (2019) Article DOI: 10.1021/acs.jmedchem.9b00283 BindingDB Entry DOI: 10.7270/Q2CC1453
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50530453 (CHEMBL4586057) Show SMILES C[C@@H]1N(Cc2ccccc2)C(=O)N(C1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H15ClN2O2/c1-12-16(21)20(15-9-7-14(18)8-10-15)17(22)19(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis				J Med Chem 62: 9983-9989 (2019) Article DOI: 10.1021/acs.jmedchem.9b00283 BindingDB Entry DOI: 10.7270/Q2CC1453
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50530453 (CHEMBL4586057) Show SMILES C[C@@H]1N(Cc2ccccc2)C(=O)N(C1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H15ClN2O2/c1-12-16(21)20(15-9-7-14(18)8-10-15)17(22)19(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis				J Med Chem 62: 9983-9989 (2019) Article DOI: 10.1021/acs.jmedchem.9b00283 BindingDB Entry DOI: 10.7270/Q2CC1453
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50530446 (CHEMBL4539839) Show SMILES C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H14ClN5O2/c1-11-16(24)23(15-8-4-13(18)5-9-15)17(25)22(11)10-12-2-6-14(7-3-12)20-21-19/h2-9,11H,10H2,1H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis				J Med Chem 62: 9983-9989 (2019) Article DOI: 10.1021/acs.jmedchem.9b00283 BindingDB Entry DOI: 10.7270/Q2CC1453
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50530446 (CHEMBL4539839) Show SMILES C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H14ClN5O2/c1-11-16(24)23(15-8-4-13(18)5-9-15)17(25)22(11)10-12-2-6-14(7-3-12)20-21-19/h2-9,11H,10H2,1H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis				J Med Chem 62: 9983-9989 (2019) Article DOI: 10.1021/acs.jmedchem.9b00283 BindingDB Entry DOI: 10.7270/Q2CC1453
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50530448 (CHEMBL4441183) Show SMILES C[C@@H]1N(Cc2ccccc2)C(=O)N(C1=O)c1ccc(cc1)N=[N+]=[N-] |r| Show InChI InChI=1S/C17H15N5O2/c1-12-16(23)22(15-9-7-14(8-10-15)19-20-18)17(24)21(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis				J Med Chem 62: 9983-9989 (2019) Article DOI: 10.1021/acs.jmedchem.9b00283 BindingDB Entry DOI: 10.7270/Q2CC1453
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50530448 (CHEMBL4441183) Show SMILES C[C@@H]1N(Cc2ccccc2)C(=O)N(C1=O)c1ccc(cc1)N=[N+]=[N-] |r| Show InChI InChI=1S/C17H15N5O2/c1-12-16(23)22(15-9-7-14(8-10-15)19-20-18)17(24)21(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis				J Med Chem 62: 9983-9989 (2019) Article DOI: 10.1021/acs.jmedchem.9b00283 BindingDB Entry DOI: 10.7270/Q2CC1453
					More data for this Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial (Rattus norvegicus)	BDBM50255245 (3-chloro-1-(4-hydroxyphenyl)propan-1-one | CHEMBL5...) Show SMILES Oc1ccc(cc1)C(=O)CCCl Show InChI InChI=1S/C9H9ClO2/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,11H,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Activity of GABA transaminase in rat brain				Bioorg Med Chem Lett 19: 731-4 (2009) Article DOI: 10.1016/j.bmcl.2008.12.033 BindingDB Entry DOI: 10.7270/Q2T72H9G
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50462572 (CHEMBL4249337) Show SMILES Nc1nc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccc2cc1Br |r| Show InChI InChI=1S/C22H23BrN6O2/c23-15-8-12-3-1-11(7-16(12)28-21(15)25)2-4-13-9-17(19(31)18(13)30)29-6-5-14-20(24)26-10-27-22(14)29/h1,3,5-8,10,13,17-19,30-31H,2,4,9H2,(H2,25,28)(H2,24,26,27)/t13-,17+,18+,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of full-length human N-terminal FLAG-tagged PRMT5 expressed in Sf9 insect cells using histone H2A as peptide after 120 mins in presence of...				Bioorg Med Chem Lett 28: 3693-3699 (2018) Article DOI: 10.1016/j.bmcl.2018.10.026 BindingDB Entry DOI: 10.7270/Q2SB490F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM415557 (US10428104, Example 88) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H16ClFN4O4/c18-9-2-1-7(5-10(9)19)11(24)14-12(25)13(26)17(27-14)23-4-3-8-15(20)21-6-22-16(8)23/h1-6,11-14,17,24-26H,(H2,20,21,22)/t11-,12+,13-,14-,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of PRMT5 (unknown origin)				Bioorg Med Chem Lett 28: 3693-3699 (2018) Article DOI: 10.1016/j.bmcl.2018.10.026 BindingDB Entry DOI: 10.7270/Q2SB490F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM25028 (4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science& Technology Normal University Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PI substrate incubated for 60 mins by kinase-glo luminescence assay				Bioorg Med Chem 24: 3862-9 (2016) Article DOI: 10.1016/j.bmc.2016.06.032 BindingDB Entry DOI: 10.7270/Q2M32XP4
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50530446 (CHEMBL4539839) Show SMILES C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H14ClN5O2/c1-11-16(24)23(15-8-4-13(18)5-9-15)17(25)22(11)10-12-2-6-14(7-3-12)20-21-19/h2-9,11H,10H2,1H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
ShanghaiTech University Curated by ChEMBL					Assay Description Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response pre...				J Med Chem 62: 9983-9989 (2019) Article DOI: 10.1021/acs.jmedchem.9b00283 BindingDB Entry DOI: 10.7270/Q2CC1453
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50530446 (CHEMBL4539839) Show SMILES C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H14ClN5O2/c1-11-16(24)23(15-8-4-13(18)5-9-15)17(25)22(11)10-12-2-6-14(7-3-12)20-21-19/h2-9,11H,10H2,1H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
ShanghaiTech University Curated by ChEMBL					Assay Description Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response pre...				J Med Chem 62: 9983-9989 (2019) Article DOI: 10.1021/acs.jmedchem.9b00283 BindingDB Entry DOI: 10.7270/Q2CC1453
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM178166 (US10307413, Compound 208 | US10391089, Compound 20...) Show SMILES CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C24H32N6O3/c1-17(31)30-10-7-20(8-11-30)28-23-12-22(26-16-27-23)24(33)25-13-21(32)15-29-9-6-18-4-2-3-5-19(18)14-29/h2-5,12,16,20-21,32H,6-11,13-15H2,1H3,(H,25,33)(H,26,27,28)/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of PRMT5 (unknown origin)/MEP50 (unknown origin) using histone H4 as substrate preincubated for 60 mins in presence of enzyme and SAM				Bioorg Med Chem Lett 28: 3693-3699 (2018) Article DOI: 10.1016/j.bmcl.2018.10.026 BindingDB Entry DOI: 10.7270/Q2SB490F
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM178166 (US10307413, Compound 208 | US10391089, Compound 20...) Show SMILES CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C24H32N6O3/c1-17(31)30-10-7-20(8-11-30)28-23-12-22(26-16-27-23)24(33)25-13-21(32)15-29-9-6-18-4-2-3-5-19(18)14-29/h2-5,12,16,20-21,32H,6-11,13-15H2,1H3,(H,25,33)(H,26,27,28)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of PRMT5 (unknown origin)				Bioorg Med Chem Lett 28: 3693-3699 (2018) Article DOI: 10.1016/j.bmcl.2018.10.026 BindingDB Entry DOI: 10.7270/Q2SB490F
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529897 (CHEMBL4468383) Show SMILES O[C@@H](CNC(=O)c1ccc2CN(CCc2c1)C(=O)c1ccc(Br)cc1)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C29H30BrN3O3/c30-26-9-7-21(8-10-26)29(36)33-14-12-22-15-23(5-6-25(22)18-33)28(35)31-16-27(34)19-32-13-11-20-3-1-2-4-24(20)17-32/h1-10,15,27,34H,11-14,16-19H2,(H,31,35)/t27-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529897 (CHEMBL4468383) Show SMILES O[C@@H](CNC(=O)c1ccc2CN(CCc2c1)C(=O)c1ccc(Br)cc1)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C29H30BrN3O3/c30-26-9-7-21(8-10-26)29(36)33-14-12-22-15-23(5-6-25(22)18-33)28(35)31-16-27(34)19-32-13-11-20-3-1-2-4-24(20)17-32/h1-10,15,27,34H,11-14,16-19H2,(H,31,35)/t27-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529901 (CHEMBL4568997) Show SMILES OC(CNC(=O)c1ccc2CN(CCc2c1)C(=O)c1ccc(Br)cc1)CN1CCc2ccccc2C1 Show InChI InChI=1S/C29H30BrN3O3/c30-26-9-7-21(8-10-26)29(36)33-14-12-22-15-23(5-6-25(22)18-33)28(35)31-16-27(34)19-32-13-11-20-3-1-2-4-24(20)17-32/h1-10,15,27,34H,11-14,16-19H2,(H,31,35)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529901 (CHEMBL4568997) Show SMILES OC(CNC(=O)c1ccc2CN(CCc2c1)C(=O)c1ccc(Br)cc1)CN1CCc2ccccc2C1 Show InChI InChI=1S/C29H30BrN3O3/c30-26-9-7-21(8-10-26)29(36)33-14-12-22-15-23(5-6-25(22)18-33)28(35)31-16-27(34)19-32-13-11-20-3-1-2-4-24(20)17-32/h1-10,15,27,34H,11-14,16-19H2,(H,31,35)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529900 (CHEMBL4473655) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCc2cc(ccc2C1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C31H36N4O3/c1-33(2)28-11-9-23(10-12-28)31(38)35-16-14-24-17-25(7-8-27(24)20-35)30(37)32-18-29(36)21-34-15-13-22-5-3-4-6-26(22)19-34/h3-12,17,29,36H,13-16,18-21H2,1-2H3,(H,32,37)/t29-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529900 (CHEMBL4473655) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCc2cc(ccc2C1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C31H36N4O3/c1-33(2)28-11-9-23(10-12-28)31(38)35-16-14-24-17-25(7-8-27(24)20-35)30(37)32-18-29(36)21-34-15-13-22-5-3-4-6-26(22)19-34/h3-12,17,29,36H,13-16,18-21H2,1-2H3,(H,32,37)/t29-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529896 (CHEMBL4444027) Show SMILES COc1ccc(cc1)C(=O)N1CCc2cc(ccc2C1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C30H33N3O4/c1-37-28-10-8-22(9-11-28)30(36)33-15-13-23-16-24(6-7-26(23)19-33)29(35)31-17-27(34)20-32-14-12-21-4-2-3-5-25(21)18-32/h2-11,16,27,34H,12-15,17-20H2,1H3,(H,31,35)/t27-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529896 (CHEMBL4444027) Show SMILES COc1ccc(cc1)C(=O)N1CCc2cc(ccc2C1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r| Show InChI InChI=1S/C30H33N3O4/c1-37-28-10-8-22(9-11-28)30(36)33-15-13-23-16-24(6-7-26(23)19-33)29(35)31-17-27(34)20-32-14-12-21-4-2-3-5-25(21)18-32/h2-11,16,27,34H,12-15,17-20H2,1H3,(H,31,35)/t27-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529888 (CHEMBL4516250) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCc2cc(ccc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1 Show InChI InChI=1S/C31H36N4O3/c1-33(2)28-11-9-23(10-12-28)31(38)35-16-14-24-17-25(7-8-27(24)20-35)30(37)32-18-29(36)21-34-15-13-22-5-3-4-6-26(22)19-34/h3-12,17,29,36H,13-16,18-21H2,1-2H3,(H,32,37)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529902 (CHEMBL4515794) Show SMILES CN(C)c1ccc(cc1)C(=O)N1Cc2ccc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1 Show InChI InChI=1S/C30H34N4O3/c1-32(2)27-11-9-22(10-12-27)30(37)34-18-25-8-7-23(15-26(25)19-34)29(36)31-16-28(35)20-33-14-13-21-5-3-4-6-24(21)17-33/h3-12,15,28,35H,13-14,16-20H2,1-2H3,(H,31,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529888 (CHEMBL4516250) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCc2cc(ccc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1 Show InChI InChI=1S/C31H36N4O3/c1-33(2)28-11-9-23(10-12-28)31(38)35-16-14-24-17-25(7-8-27(24)20-35)30(37)32-18-29(36)21-34-15-13-22-5-3-4-6-26(22)19-34/h3-12,17,29,36H,13-16,18-21H2,1-2H3,(H,32,37)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529902 (CHEMBL4515794) Show SMILES CN(C)c1ccc(cc1)C(=O)N1Cc2ccc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1 Show InChI InChI=1S/C30H34N4O3/c1-32(2)27-11-9-22(10-12-27)30(37)34-18-25-8-7-23(15-26(25)19-34)29(36)31-16-28(35)20-33-14-13-21-5-3-4-6-24(21)17-33/h3-12,15,28,35H,13-14,16-20H2,1-2H3,(H,31,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529890 (CHEMBL4471253) Show SMILES OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccc(Br)cc1)CN1CCc2ccccc2C1 Show InChI InChI=1S/C27H28BrN3O3S/c28-22-7-5-19(6-8-22)27(34)31-12-10-24-21(16-31)13-25(35-24)26(33)29-14-23(32)17-30-11-9-18-3-1-2-4-20(18)15-30/h1-8,13,23,32H,9-12,14-17H2,(H,29,33)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529890 (CHEMBL4471253) Show SMILES OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccc(Br)cc1)CN1CCc2ccccc2C1 Show InChI InChI=1S/C27H28BrN3O3S/c28-22-7-5-19(6-8-22)27(34)31-12-10-24-21(16-31)13-25(35-24)26(33)29-14-23(32)17-30-11-9-18-3-1-2-4-20(18)15-30/h1-8,13,23,32H,9-12,14-17H2,(H,29,33)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529909 (CHEMBL4552781) Show SMILES CC(=O)c1ccc(cc1)C(=O)N1CCc2sc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1 Show InChI InChI=1S/C29H31N3O4S/c1-19(33)20-6-8-22(9-7-20)29(36)32-13-11-26-24(17-32)14-27(37-26)28(35)30-15-25(34)18-31-12-10-21-4-2-3-5-23(21)16-31/h2-9,14,25,34H,10-13,15-18H2,1H3,(H,30,35)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM25045 (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science& Technology Normal University Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin) using ULight4E-BP1 peptide as substrate incubated for 1 hr by TR-FRET assay				Bioorg Med Chem 24: 3862-9 (2016) Article DOI: 10.1016/j.bmc.2016.06.032 BindingDB Entry DOI: 10.7270/Q2M32XP4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529924 (CHEMBL4440892) Show SMILES OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccc(cc1)[N+]([O-])=O)CN1CCc2ccccc2C1 Show InChI InChI=1S/C27H28N4O5S/c32-23(17-29-11-9-18-3-1-2-4-20(18)15-29)14-28-26(33)25-13-21-16-30(12-10-24(21)37-25)27(34)19-5-7-22(8-6-19)31(35)36/h1-8,13,23,32H,9-12,14-17H2,(H,28,33)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529908 (CHEMBL4561031) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N1CCc2sc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1 Show InChI InChI=1S/C31H37N3O3S/c1-31(2,3)25-10-8-22(9-11-25)30(37)34-15-13-27-24(19-34)16-28(38-27)29(36)32-17-26(35)20-33-14-12-21-6-4-5-7-23(21)18-33/h4-11,16,26,35H,12-15,17-20H2,1-3H3,(H,32,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529909 (CHEMBL4552781) Show SMILES CC(=O)c1ccc(cc1)C(=O)N1CCc2sc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1 Show InChI InChI=1S/C29H31N3O4S/c1-19(33)20-6-8-22(9-7-20)29(36)32-13-11-26-24(17-32)14-27(37-26)28(35)30-15-25(34)18-31-12-10-21-4-2-3-5-23(21)16-31/h2-9,14,25,34H,10-13,15-18H2,1H3,(H,30,35)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529908 (CHEMBL4561031) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N1CCc2sc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1 Show InChI InChI=1S/C31H37N3O3S/c1-31(2,3)25-10-8-22(9-11-25)30(37)34-15-13-27-24(19-34)16-28(38-27)29(36)32-17-26(35)20-33-14-12-21-6-4-5-7-23(21)18-33/h4-11,16,26,35H,12-15,17-20H2,1-3H3,(H,32,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529924 (CHEMBL4440892) Show SMILES OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccc(cc1)[N+]([O-])=O)CN1CCc2ccccc2C1 Show InChI InChI=1S/C27H28N4O5S/c32-23(17-29-11-9-18-3-1-2-4-20(18)15-29)14-28-26(33)25-13-21-16-30(12-10-24(21)37-25)27(34)19-5-7-22(8-6-19)31(35)36/h1-8,13,23,32H,9-12,14-17H2,(H,28,33)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529910 (CHEMBL4534259) Show SMILES COc1ccc(cc1)C(=O)N1CCc2sc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1 Show InChI InChI=1S/C28H31N3O4S/c1-35-24-8-6-20(7-9-24)28(34)31-13-11-25-22(17-31)14-26(36-25)27(33)29-15-23(32)18-30-12-10-19-4-2-3-5-21(19)16-30/h2-9,14,23,32H,10-13,15-18H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50574136 (CHEMBL4846473) Show SMILES [H][C@@]12CCC(C(C)(O)CCCCCCOCCOCc3cn(CCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:73| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferas...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01220 BindingDB Entry DOI: 10.7270/Q2DJ5KFM
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529910 (CHEMBL4534259) Show SMILES COc1ccc(cc1)C(=O)N1CCc2sc(cc2C1)C(=O)NCC(O)CN1CCc2ccccc2C1 Show InChI InChI=1S/C28H31N3O4S/c1-35-24-8-6-20(7-9-24)28(34)31-13-11-25-22(17-31)14-26(36-25)27(33)29-15-23(32)18-30-12-10-19-4-2-3-5-21(19)16-30/h2-9,14,23,32H,10-13,15-18H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50574143 (CHEMBL4870539) Show SMILES [H][C@@]12CCC(C(C)(O)CCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCc3cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:103| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferas...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01220 BindingDB Entry DOI: 10.7270/Q2DJ5KFM
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50574142 (CHEMBL4873360) Show SMILES [H][C@@]12CCC(C(C)(O)CCCCCCOCCOCCOCCOCCOCCOCCOCc3cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:97| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferas...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01220 BindingDB Entry DOI: 10.7270/Q2DJ5KFM
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50574141 (CHEMBL4861638) Show SMILES [H][C@@]12CCC(C(C)(O)CCCCCCOCCOCCOCCOCCOCc3cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:91| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferas...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01220 BindingDB Entry DOI: 10.7270/Q2DJ5KFM
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50574140 (CHEMBL4848651) Show SMILES [H][C@@]12CCC(C(C)(O)CCCCCCOCCOCCOCc3cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:85| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferas...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01220 BindingDB Entry DOI: 10.7270/Q2DJ5KFM
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50574139 (CHEMBL4861427) Show SMILES [H][C@@]12CCC(C(C)(O)CCCCCCOCCOCc3cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:82| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferas...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01220 BindingDB Entry DOI: 10.7270/Q2DJ5KFM
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50574138 (CHEMBL4858367) Show SMILES [H][C@@]12CCC(C(C)(O)CCCCCCOCCOCc3cn(CCOCCOCCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:79| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferas...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01220 BindingDB Entry DOI: 10.7270/Q2DJ5KFM
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50574137 (CHEMBL4861774) Show SMILES [H][C@@]12CCC(C(C)(O)CCCCCCOCCOCc3cn(CCOCCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:76| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferas...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01220 BindingDB Entry DOI: 10.7270/Q2DJ5KFM
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50529895 (CHEMBL4524519) Show SMILES OC(CNC(=O)c1cc2CN(CCc2s1)C(=O)c1ccc2ccccc2c1)CN1CCc2ccccc2C1 Show InChI InChI=1S/C31H31N3O3S/c35-27(20-33-13-11-22-6-2-4-8-25(22)18-33)17-32-30(36)29-16-26-19-34(14-12-28(26)38-29)31(37)24-10-9-21-5-1-3-7-23(21)15-24/h1-10,15-16,27,35H,11-14,17-20H2,(H,32,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in H...				Eur J Med Chem 164: 317-333 (2019) Article DOI: 10.1016/j.ejmech.2018.12.065 BindingDB Entry DOI: 10.7270/Q2RR22Q1
					More data for this Ligand-Target Pair

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