BDBM28542 WAY-362450::XL335::propan-2-yl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1H,2H,3H,6H-azepino[4,5-b]indole-5-carboxylate

SMILES: CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1

InChI Key: InChIKey=INASOKQDNHHMRE-UHFFFAOYSA-N

Data: 4 EC50

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 4 hits for monomerid = 28542   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bile acid receptor (Human)	BDBM28542 (propan-2-yl 3-[(3,4-difluorophenyl)carbonyl]-1,1-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	4	n/a	n/a	7.0	22
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM28542 (propan-2-yl 3-[(3,4-difluorophenyl)carbonyl]-1,1-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Mouse)	BDBM28542 (propan-2-yl 3-[(3,4-difluorophenyl)carbonyl]-1,1-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	152	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile acid receptor (Human)	BDBM28542 (propan-2-yl 3-[(3,4-difluorophenyl)carbonyl]-1,1-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair