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Compile Data Set for Download or QSAR

Found 1 hit of affinity data for UniProtKB/TrEMBL: Q15599   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Na(+)/H(+) exchange regulatory cofactor NHE-RF2


(Homo sapiens)
BDBM50555257
PNG
(CHEMBL4763464)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)COCCOCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)(C)S)C(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C
Show InChI InChI=1S/C99H134N24O22S3/c1-51(124)75(87(136)117-67(24-17-37-112-95(106)107)83(132)123-78(90(139)140)97(5,6)7)120-88(137)76(96(2,3)4)121-89(138)77(98(8,9)147)122-85(134)69(45-56-50-148-73-25-13-12-20-59(56)73)119-84(133)68(43-52-26-27-53-18-10-11-19-54(53)42-52)118-82(131)66(23-16-36-111-94(104)105)115-80(129)64(21-14-34-109-92(100)101)114-81(130)65(22-15-35-110-93(102)103)116-86(135)70(49-146)113-74(127)48-143-41-40-142-39-38-108-79(128)55-28-31-61-60(44-55)91(141)145-99(61)62-32-29-57(125)46-71(62)144-72-47-58(126)30-33-63(72)99/h10-13,18-20,25-33,42,44,46-47,50-51,64-70,75-78,124-126,146-147H,14-17,21-24,34-41,43,45,48-49H2,1-9H3,(H,108,128)(H,113,127)(H,114,130)(H,115,129)(H,116,135)(H,117,136)(H,118,131)(H,119,133)(H,120,137)(H,121,138)(H,122,134)(H,123,132)(H,139,140)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)(H4,106,107,112)/t51-,64+,65-,66+,67+,68+,69+,70+,75+,76-,77-,78-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/an/a 560n/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to NHERF2 PDZ1 domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by fluorescence polarization based comp...


J Med Chem 63: 15773-15784 (2020)

More data for this
Ligand-Target Pair