Found 3 hits Enz. Inhib. hit(s) with Target = 'Disks large homolog 4' and Ligand = 'BDBM50253143' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Disks large homolog 4
(Homo sapiens (Human)) | BDBM50253143
(CHEMBL445253 | KSG-YEKLSSIESDV)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C66H108N16O26/c1-7-34(6)53(65(106)74-40(19-21-50(91)92)58(99)78-45(29-84)62(103)76-43(26-51(93)94)61(102)81-52(33(4)5)66(107)108)82-64(105)47(31-86)80-63(104)46(30-85)79-59(100)41(24-32(2)3)75-56(97)38(13-9-11-23-68)72-57(98)39(18-20-49(89)90)73-60(101)42(25-35-14-16-36(87)17-15-35)71-48(88)27-70-55(96)44(28-83)77-54(95)37(69)12-8-10-22-67/h14-17,32-34,37-47,52-53,83-87H,7-13,18-31,67-69H2,1-6H3,(H,70,96)(H,71,88)(H,72,98)(H,73,101)(H,74,106)(H,75,97)(H,76,103)(H,77,95)(H,78,99)(H,79,100)(H,80,104)(H,81,102)(H,82,105)(H,89,90)(H,91,92)(H,93,94)(H,107,108)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-,53-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Binding affinity to human PSD95 domain PDZ2 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay |
J Med Chem 51: 6450-9 (2008)
Article DOI: 10.1021/jm800836w
BindingDB Entry DOI: 10.7270/Q22807FQ |
More data for this
Ligand-Target Pair | |
Disks large homolog 4
(Homo sapiens (Human)) | BDBM50253143
(CHEMBL445253 | KSG-YEKLSSIESDV)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C66H108N16O26/c1-7-34(6)53(65(106)74-40(19-21-50(91)92)58(99)78-45(29-84)62(103)76-43(26-51(93)94)61(102)81-52(33(4)5)66(107)108)82-64(105)47(31-86)80-63(104)46(30-85)79-59(100)41(24-32(2)3)75-56(97)38(13-9-11-23-68)72-57(98)39(18-20-49(89)90)73-60(101)42(25-35-14-16-36(87)17-15-35)71-48(88)27-70-55(96)44(28-83)77-54(95)37(69)12-8-10-22-67/h14-17,32-34,37-47,52-53,83-87H,7-13,18-31,67-69H2,1-6H3,(H,70,96)(H,71,88)(H,72,98)(H,73,101)(H,74,106)(H,75,97)(H,76,103)(H,77,95)(H,78,99)(H,79,100)(H,80,104)(H,81,102)(H,82,105)(H,89,90)(H,91,92)(H,93,94)(H,107,108)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-,53-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Binding affinity to human PSD95 domain PDZ1-2 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay |
J Med Chem 51: 6450-9 (2008)
Article DOI: 10.1021/jm800836w
BindingDB Entry DOI: 10.7270/Q22807FQ |
More data for this
Ligand-Target Pair | |
Disks large homolog 4
(Homo sapiens (Human)) | BDBM50253143
(CHEMBL445253 | KSG-YEKLSSIESDV)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C66H108N16O26/c1-7-34(6)53(65(106)74-40(19-21-50(91)92)58(99)78-45(29-84)62(103)76-43(26-51(93)94)61(102)81-52(33(4)5)66(107)108)82-64(105)47(31-86)80-63(104)46(30-85)79-59(100)41(24-32(2)3)75-56(97)38(13-9-11-23-68)72-57(98)39(18-20-49(89)90)73-60(101)42(25-35-14-16-36(87)17-15-35)71-48(88)27-70-55(96)44(28-83)77-54(95)37(69)12-8-10-22-67/h14-17,32-34,37-47,52-53,83-87H,7-13,18-31,67-69H2,1-6H3,(H,70,96)(H,71,88)(H,72,98)(H,73,101)(H,74,106)(H,75,97)(H,76,103)(H,77,95)(H,78,99)(H,79,100)(H,80,104)(H,81,102)(H,82,105)(H,89,90)(H,91,92)(H,93,94)(H,107,108)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-,53-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Binding affinity to human PSD95 domain PDZ1 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay |
J Med Chem 51: 6450-9 (2008)
Article DOI: 10.1021/jm800836w
BindingDB Entry DOI: 10.7270/Q22807FQ |
More data for this
Ligand-Target Pair | |
Search and Browse
