null

SMILES: CC(C)NC(=O)n1c2CN(CCc2cc1-c1ccccc1)S(=O)(=O)c1cccs1

InChI Key: InChIKey=TYBYSTDSEWDDKH-UHFFFAOYSA-N

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 1 hit for monomerid = 225927   

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
Bile acid receptor (Homo sapiens (Human))	BDBM225927 (FXR_16) Show SMILES CC(C)NC(=O)n1c2CN(CCc2cc1-c1ccccc1)S(=O)(=O)c1cccs1 Show InChI InChI=1S/C21H23N3O3S2/c1-15(2)22-21(25)24-18(16-7-4-3-5-8-16)13-17-10-11-23(14-19(17)24)29(26,27)20-9-6-12-28-20/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	7.4	n/a
D3R					Assay Description The assay buffer contained 50 mM HEPES (pH 7.4), 10 mM NaCl, 5 mM MgCl2 and 0.01% CHAPS. The reactions were incubated for 30 min in the presence of [...				D3R 882: (2017) BindingDB Entry DOI: 10.7270/Q2MC8XWV
					More data for this Ligand-Target Pair				3D Structure (crystal)