BDBM27659 1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide::CHEMBL466658::pyrazole scaffold, 1a

SMILES: C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F

InChI Key: InChIKey=IYRJQVYDXHALDE-AWEZNQCLSA-N

Data: 5 IC50

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 = 27659   

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 (Mus musculus (mouse))	BDBM27659 (1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-be...) Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N5O2/c1-14(26)20(31)27-13-16-8-5-9-17(10-16)30-18(11-19(29-30)22(23,24)25)21(32)28-12-15-6-3-2-4-7-15/h2-11,14H,12-13,26H2,1H3,(H,27,31)(H,28,32)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	9.0	22
MethylGene Inc.					Assay Description Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...				Bioorg Med Chem Lett 19: 1218-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.075 BindingDB Entry DOI: 10.7270/Q2K64GC6
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM27659 (1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-be...) Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N5O2/c1-14(26)20(31)27-13-16-8-5-9-17(10-16)30-18(11-19(29-30)22(23,24)25)21(32)28-12-15-6-3-2-4-7-15/h2-11,14H,12-13,26H2,1H3,(H,27,31)(H,28,32)/t14-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CARM1 assessed as blockade of histone H3 methylation				Bioorg Med Chem Lett 19: 2924-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.075 BindingDB Entry DOI: 10.7270/Q24B3170
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 3 (Homo sapiens (Human))	BDBM27659 (1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-be...) Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N5O2/c1-14(26)20(31)27-13-16-8-5-9-17(10-16)30-18(11-19(29-30)22(23,24)25)21(32)28-12-15-6-3-2-4-7-15/h2-11,14H,12-13,26H2,1H3,(H,27,31)(H,28,32)/t14-/m0/s1	PDB B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of GST-tagged PRMT3 by methylation assay				Bioorg Med Chem Lett 18: 4438-41 (2008) Article DOI: 10.1016/j.bmcl.2008.06.026 BindingDB Entry DOI: 10.7270/Q2KP832Z
					More data for this Ligand-Target Pair
Protein-arginine N-methyltransferase 1 (Homo sapiens (Human))	BDBM27659 (1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-be...) Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N5O2/c1-14(26)20(31)27-13-16-8-5-9-17(10-16)30-18(11-19(29-30)22(23,24)25)21(32)28-12-15-6-3-2-4-7-15/h2-11,14H,12-13,26H2,1H3,(H,27,31)(H,28,32)/t14-/m0/s1	PDB B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of GST-tagged PRMT1 by methylation assay				Bioorg Med Chem Lett 18: 4438-41 (2008) Article DOI: 10.1016/j.bmcl.2008.06.026 BindingDB Entry DOI: 10.7270/Q2KP832Z
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM27659 (1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-be...) Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N5O2/c1-14(26)20(31)27-13-16-8-5-9-17(10-16)30-18(11-19(29-30)22(23,24)25)21(32)28-12-15-6-3-2-4-7-15/h2-11,14H,12-13,26H2,1H3,(H,27,31)(H,28,32)/t14-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human GST-tagged CARM1 by methylation assay				Bioorg Med Chem Lett 18: 4438-41 (2008) Article DOI: 10.1016/j.bmcl.2008.06.026 BindingDB Entry DOI: 10.7270/Q2KP832Z
					More data for this Ligand-Target Pair