null

SMILES: Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NCc1nn[nH]n1

InChI Key: InChIKey=BAYITOPJNDLMCU-WCAVRKLYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465515   

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))	BDBM465515 (US10793568, Compound I-164) Show SMILES Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NCc1nn[nH]n1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.35,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.84,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;6.57,-9.93,;4.05,-10.8,;4.55,-12.25,;6.06,-12.55,;7.19,-11.5,;8.53,-12.25,;8.24,-13.76,;6.71,-13.94,)| Show InChI InChI=1S/C28H27Cl2N7O3/c29-21-2-1-3-22(30)25(21)26-20(27(40-34-26)15-4-5-15)14-39-23-11-19-10-17(23)13-37(19)18-8-6-16(7-9-18)28(38)31-12-24-32-35-36-33-24/h1-3,6-9,15,17,19,23H,4-5,10-14H2,(H,31,38)(H,32,33,35,36)/t17-,19-,23+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
ARDELYX, INC. US Patent					Assay Description The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...				US Patent US10793568 (2020)
					More data for this Ligand-Target Pair