BDBM50366992 CHEMBL4168754

SMILES: [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccccc1

InChI Key: InChIKey=WWOOWAHTEXIWBO-QFRSUPTLSA-N

Data: 3 IC50  1 Kd  1 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50366992   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
PRMT5/MEP50 Enzyme (Homo sapiens (Human))	BDBM50366992 (CHEMBL4168754) Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PRMT5/MEP50 complex (unknown origin) expressed in Sf9 insect cells using SGRGKGGKGLGKGGAKRHRKVLRDK-Biotin as substrate by surface plasm...				ACS Med Chem Lett 9: 612-617 (2018) Article DOI: 10.1021/acsmedchemlett.8b00014 BindingDB Entry DOI: 10.7270/Q2TF00XN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50366992 (CHEMBL4168754) Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PRMT5 in human MCF7 cells assessed as reduction in SmBB'-Rme2s levels after 48 hrs by Western blot analysis				ACS Med Chem Lett 9: 612-617 (2018) Article DOI: 10.1021/acsmedchemlett.8b00014 BindingDB Entry DOI: 10.7270/Q2TF00XN
					More data for this Ligand-Target Pair				3D Structure (crystal)
PRMT5/MEP50 Enzyme (Homo sapiens (Human))	BDBM50366992 (CHEMBL4168754) Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Prelude Therapeutics Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (1 to 637 residue) /full length human N-terminal His tagged MEP50 expressed in baculovir...				Bioorg Med Chem Lett 29: 1264-1269 (2019) Article DOI: 10.1016/j.bmcl.2019.03.042
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50366992 (CHEMBL4168754) Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PRMT5 in human MCF7 cells assessed as skipping of Mdm4 exon 6 mRNA splicing after 72 hrs by qRT-PCR method				ACS Med Chem Lett 9: 612-617 (2018) Article DOI: 10.1021/acsmedchemlett.8b00014 BindingDB Entry DOI: 10.7270/Q2TF00XN
					More data for this Ligand-Target Pair				3D Structure (crystal)
PRMT5/MEP50 Enzyme (Homo sapiens (Human))	BDBM50366992 (CHEMBL4168754) Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PRMT5/MEP50 complex (unknown origin) expressed in Sf9 insect cells using SGRGKGGKGLGKGGAKRHRKVLRDK-Biotin as substrate measured after 2...				ACS Med Chem Lett 9: 612-617 (2018) Article DOI: 10.1021/acsmedchemlett.8b00014 BindingDB Entry DOI: 10.7270/Q2TF00XN
					More data for this Ligand-Target Pair				3D Structure (crystal)