Found 2 hits Enz. Inhib. hit(s) with Target = 'Leukocyte surface antigen CD47' and Ligand = 'BDBM50530416' 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 |
|---|
Leukocyte surface antigen CD47
(Homo sapiens (Human)) | BDBM50530416
(CHEMBL4449880)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](N)CCCCN)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C69H107N17O12S/c1-41(2)57(65(94)79-51(31-36-99-6)60(89)82-55(39-45-40-77-49-23-11-10-21-47(45)49)62(91)78-50(24-13-16-33-71)59(88)80-52(68(97)98)25-14-17-34-72)85-66(95)58(42(3)4)84-63(92)54(38-44-27-29-46(87)30-28-44)81-61(90)53(37-43-19-8-7-9-20-43)83-64(93)56(26-18-35-76-69(74)75)86(5)67(96)48(73)22-12-15-32-70/h7-11,19-21,23,27-30,40-42,48,50-58,77,87H,12-18,22,24-26,31-39,70-73H2,1-6H3,(H,78,91)(H,79,94)(H,80,88)(H,81,90)(H,82,89)(H,83,93)(H,84,92)(H,85,95)(H,97,98)(H4,74,75,76)/t48-,50+,51+,52-,53+,54+,55+,56+,57+,58+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a |
Sorbonne Universit£
Curated by ChEMBL
| Assay Description
Binding affinity to CD47 in biotinylated human MEC1 cell membranes by biolayer interferometry |
J Med Chem 62: 7656-7668 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00024
BindingDB Entry DOI: 10.7270/Q2MW2MMF |
More data for this
Ligand-Target Pair | |
Leukocyte surface antigen CD47
(Homo sapiens (Human)) | BDBM50530416
(CHEMBL4449880)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](N)CCCCN)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C69H107N17O12S/c1-41(2)57(65(94)79-51(31-36-99-6)60(89)82-55(39-45-40-77-49-23-11-10-21-47(45)49)62(91)78-50(24-13-16-33-71)59(88)80-52(68(97)98)25-14-17-34-72)85-66(95)58(42(3)4)84-63(92)54(38-44-27-29-46(87)30-28-44)81-61(90)53(37-43-19-8-7-9-20-43)83-64(93)56(26-18-35-76-69(74)75)86(5)67(96)48(73)22-12-15-32-70/h7-11,19-21,23,27-30,40-42,48,50-58,77,87H,12-18,22,24-26,31-39,70-73H2,1-6H3,(H,78,91)(H,79,94)(H,80,88)(H,81,90)(H,82,89)(H,83,93)(H,84,92)(H,85,95)(H,97,98)(H4,74,75,76)/t48-,50+,51+,52-,53+,54+,55+,56+,57+,58+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a |
Sorbonne Universit£
Curated by ChEMBL
| Assay Description
Binding affinity to CD47 in biotinylated human MEC1 cell membranes by biolayer interferometry |
J Med Chem 62: 7656-7668 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00024
BindingDB Entry DOI: 10.7270/Q2MW2MMF |
More data for this
Ligand-Target Pair | |
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