BDBM22421 (cyclohexylmethyl)[(1-phenyl-1H-indol-3-yl)methyl]amine::Indole compound 1b

SMILES: C(NCc1cn(-c2ccccc2)c2ccccc12)C1CCCCC1

InChI Key: InChIKey=RGRGORMCSWGRSY-UHFFFAOYSA-N

Data: 1 IC50  2 ITC

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to 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 1 hit for monomerid = 22421   

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
Estrogen-Related Receptor, alpha (Homo sapiens (Human))	BDBM22421 ((cyclohexylmethyl)[(1-phenyl-1H-indol-3-yl)methyl]...) Show SMILES C(NCc1cn(-c2ccccc2)c2ccccc12)C1CCCCC1 Show InChI InChI=1S/C22H26N2/c1-3-9-18(10-4-1)15-23-16-19-17-24(20-11-5-2-6-12-20)22-14-8-7-13-21(19)22/h2,5-8,11-14,17-18,23H,1,3-4,9-10,15-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	7.5	20
Novartis					Assay Description The IC50s of compounds were determined in the FRET assay, which was conducted as time-resolved measurement (TR-FRET) in a 1536 well plate format. The...				J Biol Chem 282: 23231-9 (2007) Article DOI: 10.1074/jbc.M703337200 BindingDB Entry DOI: 10.7270/Q21N7ZFJ
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 22421

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Estrogen-Related Receptor, alpha (Homo sapiens (Human))	BDBM22421 ((cyclohexylmethyl)[(1-phenyl-1H-indol-3-yl)methyl]...)	GoogleScholar PDB	PC cid PC sid		n/a	4.29	-12.7	6.11	7.5	25
Novartis					J Biol Chem 282: 23231-9 (2007)
Estrogen-Related Receptor, alpha Mutant (C325S) (Homo sapiens (Human))	BDBM22421 ((cyclohexylmethyl)[(1-phenyl-1H-indol-3-yl)methyl]...)	GoogleScholar PDB	PC cid PC sid		n/a	4.69	-13.0	6.03	7.5	25
Novartis					J Biol Chem 282: 23231-9 (2007)