BDBM465473 US10793568, Compound I-124

SMILES: Cc1cccc(Cl)c1-c1noc(c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(C(O)=O)c(F)c1)C1(F)CC1

InChI Key: InChIKey=QHFVVXOCJGQFOC-GIMINZRKSA-N

Data: 1 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 1 hit for monomerid = 465473   

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))	BDBM465473 (US10793568, Compound I-124) Show SMILES Cc1cccc(Cl)c1-c1noc(c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(C(O)=O)c(F)c1)C1(F)CC1 |wU:15.16,19.20,wD:17.19,TLB:22:21:15.16:18,14:15:20.21:18,(-2.51,-3.84,;-4.04,-4.01,;-4.67,-5.42,;-6.2,-5.58,;-7.11,-4.33,;-6.48,-2.93,;-7.39,-1.68,;-4.95,-2.76,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.64,;4.05,-10.8,;6.57,-9.93,;5.57,-7.02,;7.09,-7.31,;5.07,-5.56,;-1.33,1.27,;-1.86,2.72,;.19,1.54,;-.34,.09,)| Show InChI InChI=1S/C27H25ClF2N2O4/c1-14-3-2-4-20(28)23(14)24-19(25(36-31-24)27(30)7-8-27)13-35-22-11-17-9-15(22)12-32(17)16-5-6-18(26(33)34)21(29)10-16/h2-6,10,15,17,22H,7-9,11-13H2,1H3,(H,33,34)/t15-,17-,22+/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)
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