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Compile Data Set for Download or QSAR

Found 2 hits of kd data for polymerid = 50003326   
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
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)


(Homo sapiens (Human))
BDBM50116990
PNG
(CHEMBL266681 | PFDEDQHTQITWV)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C73H102N18O24/c1-7-35(4)58(70(111)91-60(37(6)93)72(113)87-48(68(109)88-57(34(2)3)73(114)115)27-39-31-78-42-17-12-11-16-41(39)42)89-64(105)45(20-23-53(75)95)82-71(112)59(36(5)92)90-69(110)49(28-40-32-76-33-79-40)84-62(103)44(19-22-52(74)94)80-66(107)50(29-55(98)99)85-63(104)46(21-24-54(96)97)81-67(108)51(30-56(100)101)86-65(106)47(26-38-14-9-8-10-15-38)83-61(102)43-18-13-25-77-43/h8-12,14-17,31-37,43-51,57-60,77-78,92-93H,7,13,18-30H2,1-6H3,(H2,74,94)(H2,75,95)(H,76,79)(H,80,107)(H,81,108)(H,82,112)(H,83,102)(H,84,103)(H,85,104)(H,86,106)(H,87,113)(H,88,109)(H,89,105)(H,90,110)(H,91,111)(H,96,97)(H,98,99)(H,100,101)(H,114,115)/t35-,36+,37+,43-,44-,45-,46-,47-,48-,49-,50-,51-,57-,58-,59-,60-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 20n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Dissociation constant for binding to MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair
Isoform 4 of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (4)


(Homo sapiens (Human))
BDBM50116983
PNG
(CHEMBL411352 | PFDEDQHTQITKV)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C68H104N18O24/c1-7-33(4)53(65(106)86-55(35(6)88)67(108)77-39(16-11-12-24-69)59(100)83-52(32(2)3)68(109)110)84-60(101)41(19-22-48(71)90)78-66(107)54(34(5)87)85-64(105)44(27-37-30-72-31-74-37)80-57(98)40(18-21-47(70)89)75-62(103)45(28-50(93)94)81-58(99)42(20-23-49(91)92)76-63(104)46(29-51(95)96)82-61(102)43(26-36-14-9-8-10-15-36)79-56(97)38-17-13-25-73-38/h8-10,14-15,30-35,38-46,52-55,73,87-88H,7,11-13,16-29,69H2,1-6H3,(H2,70,89)(H2,71,90)(H,72,74)(H,75,103)(H,76,104)(H,77,108)(H,78,107)(H,79,97)(H,80,98)(H,81,99)(H,82,102)(H,83,100)(H,84,101)(H,85,105)(H,86,106)(H,91,92)(H,93,94)(H,95,96)(H,109,110)/t33-,34+,35+,38-,39-,40-,41-,42-,43-,44-,45-,46-,52-,53-,54-,55-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 1.00E+3n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Dissociation constant for binding to MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair