Found 3 hits Enz. Inhib. hit(s) with Target = 'CD44 antigen' and Ligand = 'BDBM50008909' 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 |
|---|
CD44 antigen
(Homo sapiens (Human)) | BDBM50008909
(CHEMBL3237620)Show SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]3[C@H](O)[C@@H](O)[C@]([H])(O[C@H]4[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]([C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C42H65N3O34/c1-7(49)43-13-19(55)16(52)10(4-46)69-38(13)75-29-21(57)24(60)41(78-32(29)35(64)65)74-27-15(45-9(3)51)40(71-12(6-48)18(27)54)77-30-22(58)25(61)42(79-33(30)36(66)67)73-26-14(44-8(2)50)39(70-11(5-47)17(26)53)76-28-20(56)23(59)37(68)72-31(28)34(62)63/h10-33,37-42,46-48,52-61,68H,4-6H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,62,63)(H,64,65)(H,66,67)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,37-,38+,39+,40+,41-,42-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.08E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay |
J Med Chem 57: 2714-25 (2014)
Article DOI: 10.1021/jm5000276
BindingDB Entry DOI: 10.7270/Q2MG7R2P |
More data for this
Ligand-Target Pair | |
CD44 antigen
(Homo sapiens (Human)) | BDBM50008909
(CHEMBL3237620)Show SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]3[C@H](O)[C@@H](O)[C@]([H])(O[C@H]4[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]([C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C42H65N3O34/c1-7(49)43-13-19(55)16(52)10(4-46)69-38(13)75-29-21(57)24(60)41(78-32(29)35(64)65)74-27-15(45-9(3)51)40(71-12(6-48)18(27)54)77-30-22(58)25(61)42(79-33(30)36(66)67)73-26-14(44-8(2)50)39(70-11(5-47)17(26)53)76-28-20(56)23(59)37(68)72-31(28)34(62)63/h10-33,37-42,46-48,52-61,68H,4-6H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,62,63)(H,64,65)(H,66,67)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,37-,38+,39+,40+,41-,42-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.88E+4 | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay |
J Med Chem 57: 2714-25 (2014)
Article DOI: 10.1021/jm5000276
BindingDB Entry DOI: 10.7270/Q2MG7R2P |
More data for this
Ligand-Target Pair | |
CD44 antigen
(Mus musculus) | BDBM50008909
(CHEMBL3237620)Show SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]3[C@H](O)[C@@H](O)[C@]([H])(O[C@H]4[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]([C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C42H65N3O34/c1-7(49)43-13-19(55)16(52)10(4-46)69-38(13)75-29-21(57)24(60)41(78-32(29)35(64)65)74-27-15(45-9(3)51)40(71-12(6-48)18(27)54)77-30-22(58)25(61)42(79-33(30)36(66)67)73-26-14(44-8(2)50)39(70-11(5-47)17(26)53)76-28-20(56)23(59)37(68)72-31(28)34(62)63/h10-33,37-42,46-48,52-61,68H,4-6H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,62,63)(H,64,65)(H,66,67)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,37-,38+,39+,40+,41-,42-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.84E+4 | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Binding affinity to immobilized recombinant mouse CD44 hyaluronan binding domain by surface plasmon resonance assay |
J Med Chem 57: 2714-25 (2014)
Article DOI: 10.1021/jm5000276
BindingDB Entry DOI: 10.7270/Q2MG7R2P |
More data for this
Ligand-Target Pair | |
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