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PubMed code 28587455

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Transthyretin


(Homo sapiens (Human))		BDBM50249584
PNG
(CHEMBL4074607)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C89H135N25O25/c1-45(2)32-58(106-75(124)54(24-16-18-30-90)103-76(125)55(26-28-66(92)116)104-80(129)61(35-52-39-95-43-98-52)108-81(130)62(36-53-40-96-44-99-53)111-86(135)71(94)46(3)4)83(132)114-73(48(7)8)88(137)112-60(34-51-22-14-11-15-23-51)79(128)107-59(33-50-20-12-10-13-21-50)78(127)100-49(9)74(123)102-56(27-29-69(119)120)77(126)110-64(38-70(121)122)84(133)113-72(47(5)6)87(136)97-41-68(118)101-65(42-115)85(134)109-63(37-67(93)117)82(131)105-57(89(138)139)25-17-19-31-91/h10-15,20-23,39-40,43-49,54-65,71-73,115H,16-19,24-38,41-42,90-91,94H2,1-9H3,(H2,92,116)(H2,93,117)(H,95,98)(H,96,99)(H,97,136)(H,100,127)(H,101,118)(H,102,123)(H,103,125)(H,104,129)(H,105,131)(H,106,124)(H,107,128)(H,108,130)(H,109,134)(H,110,126)(H,111,135)(H,112,137)(H,113,133)(H,114,132)(H,119,120)(H,121,122)(H,138,139)/t49-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-,72-,73-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 2.00E+3n/an/an/an/an/a



CIC bioGUNE , Bizkaia Technology Park, Building 801A, 48170 Derio, Spain.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human transthyretin expressed in Escherichia coli BL21 by STD-NMR spectroscopic method

J Med Chem 60: 5749-5758 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00428
BindingDB Entry DOI: 10.7270/Q29W0HW7
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/a 400n/an/an/an/an/a



CIC bioGUNE , Bizkaia Technology Park, Building 801A, 48170 Derio, Spain.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human transthyretin expressed in Escherichia coli BL21 by STD-NMR spectroscopic method

J Med Chem 60: 5749-5758 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00428
BindingDB Entry DOI: 10.7270/Q29W0HW7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%