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SMILES: CCCCC1(CCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1

InChI Key: InChIKey=OCUSJISDLVDGLW-MRKZBCIQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 420288   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM420288
PNG
(US10487111, Example 11.)
Show SMILES CCCCC1(CCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1 |r|
Show InChI InChI=1S/C36H46N4O8S2/c1-5-8-19-36(18-6-2)23-40(25-12-10-9-11-13-25)28-20-30(49-4)29(21-31(28)50(46,47)39-36)48-22-32(42)38-33(24-14-16-26(41)17-15-24)34(43)37-27(7-3)35(44)45/h9-17,20-21,27,33,39,41H,5-8,18-19,22-23H2,1-4H3,(H,37,43)(H,38,42)(H,44,45)/t27-,33+,36?/m0/s1
KEGG

UniProtKB/SwissProt

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US Patent
n/an/a 0.150n/an/an/an/an/an/a



Albireo AB

US Patent


Assay Description
ISBT Hu HEK Uptake SPA 13203 IBAT HUM Ileal Bile Acid Transporter Human HEK Glycocholic acid Uptake Radiometric—SPA Inhibitor IC50 Mean IC50 (nM) was...

US Patent US10487111 (2019)


BindingDB Entry DOI: 10.7270/Q2542R0D
More data for this
Ligand-Target Pair