BDBM50158100 CHEMBL1614812

SMILES: CNCCN1CCC(CC1)c1ccc2[nH]c(c(F)c2c1)-c1ccccc1OC

InChI Key: InChIKey=SPSRJAZORUFUOI-UHFFFAOYSA-N

Data: 7 IC50

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 7 hits for monomerid = 50158100   

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
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50158100 (CHEMBL1614812) Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(F)c2c1)-c1ccccc1OC Show InChI InChI=1S/C23H28FN3O/c1-25-11-14-27-12-9-16(10-13-27)17-7-8-20-19(15-17)22(24)23(26-20)18-5-3-4-6-21(18)28-2/h3-8,15-16,25-26H,9-14H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of human PRMT4 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...				J Med Chem 59: 1176-83 (2016) BindingDB Entry DOI: 10.7270/Q2SF2Z11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50158100 (CHEMBL1614812) Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(F)c2c1)-c1ccccc1OC Show InChI InChI=1S/C23H28FN3O/c1-25-11-14-27-12-9-16(10-13-27)17-7-8-20-19(15-17)22(24)23(26-20)18-5-3-4-6-21(18)28-2/h3-8,15-16,25-26H,9-14H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged PRMT4 assessed as inhibition of histone H3 methylation measured after 60 to 90 mins using [3H]-SAM by TopC...				J Med Chem 59: 9124-9139 (2016) Article DOI: 10.1021/acs.jmedchem.6b01033 BindingDB Entry DOI: 10.7270/Q2028TGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50158100 (CHEMBL1614812) Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(F)c2c1)-c1ccccc1OC Show InChI InChI=1S/C23H28FN3O/c1-25-11-14-27-12-9-16(10-13-27)17-7-8-20-19(15-17)22(24)23(26-20)18-5-3-4-6-21(18)28-2/h3-8,15-16,25-26H,9-14H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human GST-tagged PRMT4 expressed in Spodoptera frugiperda insect cells using histone H3 as substrate measured a...				J Med Chem 62: 5414-5433 (2019) Article DOI: 10.1021/acs.jmedchem.9b00297
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50158100 (CHEMBL1614812) Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(F)c2c1)-c1ccccc1OC Show InChI InChI=1S/C23H28FN3O/c1-25-11-14-27-12-9-16(10-13-27)17-7-8-20-19(15-17)22(24)23(26-20)18-5-3-4-6-21(18)28-2/h3-8,15-16,25-26H,9-14H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 overexpressed in HEK-Blue cells assessed as inhibition of ODN2006-induced NFkappaB and AP-1 activation preincubated...				ACS Med Chem Lett 11: 1751-1758 (2020)
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50158100 (CHEMBL1614812) Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(F)c2c1)-c1ccccc1OC Show InChI InChI=1S/C23H28FN3O/c1-25-11-14-27-12-9-16(10-13-27)17-7-8-20-19(15-17)22(24)23(26-20)18-5-3-4-6-21(18)28-2/h3-8,15-16,25-26H,9-14H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full-length GST-tagged CARM1 (unknown origin) using histone H3 substrate and [3H]SAM by scintillation counting method				J Med Chem 59: 6838-47 (2016) Article DOI: 10.1021/acs.jmedchem.6b00668
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50158100 (CHEMBL1614812) Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(F)c2c1)-c1ccccc1OC Show InChI InChI=1S/C23H28FN3O/c1-25-11-14-27-12-9-16(10-13-27)17-7-8-20-19(15-17)22(24)23(26-20)18-5-3-4-6-21(18)28-2/h3-8,15-16,25-26H,9-14H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 overexpressed in HEK-Blue cells assessed as inhibition of gardiquimod-induced NFkappaB and AP-1 activation preincub...				ACS Med Chem Lett 11: 1751-1758 (2020)
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50158100 (CHEMBL1614812) Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(F)c2c1)-c1ccccc1OC Show InChI InChI=1S/C23H28FN3O/c1-25-11-14-27-12-9-16(10-13-27)17-7-8-20-19(15-17)22(24)23(26-20)18-5-3-4-6-21(18)28-2/h3-8,15-16,25-26H,9-14H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full-length GST-tagged CARM1 (unknown origin) using histone H3 substrate and [3H]SAM by scintillation counting method				J Med Chem 59: 6838-47 (2016) Article DOI: 10.1021/acs.jmedchem.6b00668
					More data for this Ligand-Target Pair				3D Structure (crystal)