Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50009604 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)) | BDBM50530406
(CHEMBL4474790)Show SMILES CCCC[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/C70H109N17O12/c1-7-8-25-51(61(90)83-56(40-46-41-78-50-26-13-12-23-48(46)50)63(92)79-52(27-15-18-35-72)60(89)81-53(69(98)99)28-16-19-36-73)80-66(95)58(42(2)3)86-67(96)59(43(4)5)85-64(93)55(39-45-30-32-47(88)33-31-45)82-62(91)54(38-44-21-10-9-11-22-44)84-65(94)57(29-20-37-77-70(75)76)87(6)68(97)49(74)24-14-17-34-71/h9-13,21-23,26,30-33,41-43,49,51-59,78,88H,7-8,14-20,24-25,27-29,34-40,71-74H2,1-6H3,(H,79,92)(H,80,95)(H,81,89)(H,82,91)(H,83,90)(H,84,94)(H,85,93)(H,86,96)(H,98,99)(H4,75,76,77)/t49-,51+,52+,53-,54+,55+,56+,57+,58+,59+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.60E+3 | 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)) | BDBM50530411
(CHEMBL4573126)Show SMILES CCCC[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(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C60H88N14O10/c1-8-9-21-45(53(78)70-48(33-40-34-66-43-22-14-13-20-42(40)43)55(80)67-44(52(62)77)23-15-16-29-61)68-58(83)50(35(2)3)73-59(84)51(36(4)5)72-56(81)47(32-39-25-27-41(76)28-26-39)69-54(79)46(31-38-18-11-10-12-19-38)71-57(82)49(74(7)37(6)75)24-17-30-65-60(63)64/h10-14,18-20,22,25-28,34-36,44-51,66,76H,8-9,15-17,21,23-24,29-33,61H2,1-7H3,(H2,62,77)(H,67,80)(H,68,83)(H,69,79)(H,70,78)(H,71,82)(H,72,81)(H,73,84)(H4,63,64,65)/t44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.00E+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)) | BDBM50192012
(CHEMBL3971661)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)NC(=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/C68H105N17O12S/c1-40(2)56(65(94)79-51(30-35-98-5)61(90)83-55(38-44-39-76-48-22-10-9-20-46(44)48)63(92)78-49(23-12-15-32-70)59(88)80-52(67(96)97)24-13-16-33-71)85-66(95)57(41(3)4)84-64(93)54(37-43-26-28-45(86)29-27-43)82-62(91)53(36-42-18-7-6-8-19-42)81-60(89)50(25-17-34-75-68(73)74)77-58(87)47(72)21-11-14-31-69/h6-10,18-20,22,26-29,39-41,47,49-57,76,86H,11-17,21,23-25,30-38,69-72H2,1-5H3,(H,77,87)(H,78,92)(H,79,94)(H,80,88)(H,81,89)(H,82,91)(H,83,90)(H,84,93)(H,85,95)(H,96,97)(H4,73,74,75)/t47-,49+,50+,51+,52-,53+,54+,55+,56+,57+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.30E+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)) | BDBM50530408
(CHEMBL4471112)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCCN)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)80-52(31-36-99-6)62(91)83-55(39-45-40-77-49-23-11-10-21-47(45)49)64(93)79-50(24-13-16-33-71)60(89)81-53(68(97)98)25-14-17-34-72)85-66(95)58(42(3)4)86(5)67(96)56(38-44-27-29-46(87)30-28-44)84-63(92)54(37-43-19-8-7-9-20-43)82-61(90)51(26-18-35-76-69(74)75)78-59(88)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,78,88)(H,79,93)(H,80,94)(H,81,89)(H,82,90)(H,83,91)(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 | 3.60E+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)) | BDBM50530409
(CHEMBL4470419)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)[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C70H109N17O12S/c1-42(2)58(65(94)79-51(32-37-100-7)60(89)83-55(40-46-41-78-50-24-12-11-22-48(46)50)68(97)87(6)56(26-15-18-35-73)63(92)80-52(69(98)99)25-14-17-34-72)85-66(95)59(43(3)4)84-62(91)54(39-45-28-30-47(88)31-29-45)81-61(90)53(38-44-20-9-8-10-21-44)82-64(93)57(27-19-36-77-70(75)76)86(5)67(96)49(74)23-13-16-33-71/h8-12,20-22,24,28-31,41-43,49,51-59,78,88H,13-19,23,25-27,32-40,71-74H2,1-7H3,(H,79,94)(H,80,92)(H,81,90)(H,82,93)(H,83,89)(H,84,91)(H,85,95)(H,98,99)(H4,75,76,77)/t49-,51+,52-,53+,54+,55+,56+,57+,58+,59+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.80E+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)) | BDBM50530407
(CHEMBL4462869)Show SMILES CC(C)C[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/C70H109N17O12/c1-41(2)36-53(61(90)82-56(39-46-40-78-50-24-12-11-22-48(46)50)63(92)79-51(25-14-17-33-72)60(89)80-52(69(98)99)26-15-18-34-73)84-66(95)58(42(3)4)86-67(96)59(43(5)6)85-64(93)55(38-45-28-30-47(88)31-29-45)81-62(91)54(37-44-20-9-8-10-21-44)83-65(94)57(27-19-35-77-70(75)76)87(7)68(97)49(74)23-13-16-32-71/h8-12,20-22,24,28-31,40-43,49,51-59,78,88H,13-19,23,25-27,32-39,71-74H2,1-7H3,(H,79,92)(H,80,89)(H,81,91)(H,82,90)(H,83,94)(H,84,95)(H,85,93)(H,86,96)(H,98,99)(H4,75,76,77)/t49-,51+,52-,53+,54+,55+,56+,57+,58+,59+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.50E+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)) | BDBM50530410
(CHEMBL4570565)Show SMILES CC(C)[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(=O)N[C@@H](Cc1ccc(O)cc1)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/C73H107N17O13/c1-43(2)61(69(99)87-57(39-46-26-30-49(91)31-27-46)65(95)85-59(41-48-42-81-53-22-10-9-20-51(48)53)66(96)82-54(23-12-15-35-75)63(93)83-55(72(102)103)24-13-16-36-76)89-70(100)62(44(3)4)88-67(97)58(40-47-28-32-50(92)33-29-47)84-64(94)56(38-45-18-7-6-8-19-45)86-68(98)60(25-17-37-80-73(78)79)90(5)71(101)52(77)21-11-14-34-74/h6-10,18-20,22,26-33,42-44,52,54-62,81,91-92H,11-17,21,23-25,34-41,74-77H2,1-5H3,(H,82,96)(H,83,93)(H,84,94)(H,85,95)(H,86,98)(H,87,99)(H,88,97)(H,89,100)(H,102,103)(H4,78,79,80)/t52-,54+,55-,56+,57+,58+,59+,60+,61+,62+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.30E+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)) | BDBM50530411
(CHEMBL4573126)Show SMILES CCCC[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(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C60H88N14O10/c1-8-9-21-45(53(78)70-48(33-40-34-66-43-22-14-13-20-42(40)43)55(80)67-44(52(62)77)23-15-16-29-61)68-58(83)50(35(2)3)73-59(84)51(36(4)5)72-56(81)47(32-39-25-27-41(76)28-26-39)69-54(79)46(31-38-18-11-10-12-19-38)71-57(82)49(74(7)37(6)75)24-17-30-65-60(63)64/h10-14,18-20,22,25-28,34-36,44-51,66,76H,8-9,15-17,21,23-24,29-33,61H2,1-7H3,(H2,62,77)(H,67,80)(H,68,83)(H,69,79)(H,70,78)(H,71,82)(H,72,81)(H,73,84)(H4,63,64,65)/t44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.00E+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)) | BDBM50530412
(CHEMBL4462459)Show SMILES CC(C)[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(=O)N[C@@H](C(C)C)C(=O)N[C@@H](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/C69H107N17O12/c1-40(2)56(64(93)82-54(38-45-39-77-49-24-12-11-22-47(45)49)61(90)78-50(25-14-17-33-71)59(88)79-51(68(97)98)26-15-18-34-72)84-66(95)58(42(5)6)85-65(94)57(41(3)4)83-62(91)53(37-44-28-30-46(87)31-29-44)80-60(89)52(36-43-20-9-8-10-21-43)81-63(92)55(27-19-35-76-69(74)75)86(7)67(96)48(73)23-13-16-32-70/h8-12,20-22,24,28-31,39-42,48,50-58,77,87H,13-19,23,25-27,32-38,70-73H2,1-7H3,(H,78,90)(H,79,88)(H,80,89)(H,81,92)(H,82,93)(H,83,91)(H,84,95)(H,85,94)(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 | 9.50E+3 | 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)) | BDBM50192012
(CHEMBL3971661)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)NC(=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/C68H105N17O12S/c1-40(2)56(65(94)79-51(30-35-98-5)61(90)83-55(38-44-39-76-48-22-10-9-20-46(44)48)63(92)78-49(23-12-15-32-70)59(88)80-52(67(96)97)24-13-16-33-71)85-66(95)57(41(3)4)84-64(93)54(37-43-26-28-45(86)29-27-43)82-62(91)53(36-42-18-7-6-8-19-42)81-60(89)50(25-17-34-75-68(73)74)77-58(87)47(72)21-11-14-31-69/h6-10,18-20,22,26-29,39-41,47,49-57,76,86H,11-17,21,23-25,30-38,69-72H2,1-5H3,(H,77,87)(H,78,92)(H,79,94)(H,80,88)(H,81,89)(H,82,91)(H,83,90)(H,84,93)(H,85,95)(H,96,97)(H4,73,74,75)/t47-,49+,50+,51+,52-,53+,54+,55+,56+,57+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.30E+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)) | BDBM50530408
(CHEMBL4471112)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCCN)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)80-52(31-36-99-6)62(91)83-55(39-45-40-77-49-23-11-10-21-47(45)49)64(93)79-50(24-13-16-33-71)60(89)81-53(68(97)98)25-14-17-34-72)85-66(95)58(42(3)4)86(5)67(96)56(38-44-27-29-46(87)30-28-44)84-63(92)54(37-43-19-8-7-9-20-43)82-61(90)51(26-18-35-76-69(74)75)78-59(88)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,78,88)(H,79,93)(H,80,94)(H,81,89)(H,82,90)(H,83,91)(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 | 3.60E+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)) | BDBM50530413
(CHEMBL4545895)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)NC(=O)[C@H](N)CCCCN)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[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)61(90)83-55(39-45-40-77-49-23-11-10-21-47(45)49)67(96)86(5)56(26-14-17-34-72)64(93)80-52(68(97)98)24-13-16-33-71)85-66(95)58(42(3)4)84-63(92)54(38-44-27-29-46(87)30-28-44)82-62(91)53(37-43-19-8-7-9-20-43)81-60(89)50(25-18-35-76-69(74)75)78-59(88)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,78,88)(H,79,94)(H,80,93)(H,81,89)(H,82,91)(H,83,90)(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 | 4.80E+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)) | BDBM50530414
(CHEMBL4585124)Show SMILES CC[C@H](C)[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/C70H109N17O12/c1-8-43(6)59(67(96)83-55(39-46-40-78-50-25-13-12-23-48(46)50)62(91)79-51(26-15-18-34-72)60(89)80-52(69(98)99)27-16-19-35-73)86-66(95)58(42(4)5)85-65(94)57(41(2)3)84-63(92)54(38-45-29-31-47(88)32-30-45)81-61(90)53(37-44-21-10-9-11-22-44)82-64(93)56(28-20-36-77-70(75)76)87(7)68(97)49(74)24-14-17-33-71/h9-13,21-23,25,29-32,40-43,49,51-59,78,88H,8,14-20,24,26-28,33-39,71-74H2,1-7H3,(H,79,91)(H,80,89)(H,81,90)(H,82,93)(H,83,96)(H,84,92)(H,85,94)(H,86,95)(H,98,99)(H4,75,76,77)/t43-,49+,51-,52+,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.70E+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)) | BDBM50530410
(CHEMBL4570565)Show SMILES CC(C)[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(=O)N[C@@H](Cc1ccc(O)cc1)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/C73H107N17O13/c1-43(2)61(69(99)87-57(39-46-26-30-49(91)31-27-46)65(95)85-59(41-48-42-81-53-22-10-9-20-51(48)53)66(96)82-54(23-12-15-35-75)63(93)83-55(72(102)103)24-13-16-36-76)89-70(100)62(44(3)4)88-67(97)58(40-47-28-32-50(92)33-29-47)84-64(94)56(38-45-18-7-6-8-19-45)86-68(98)60(25-17-37-80-73(78)79)90(5)71(101)52(77)21-11-14-34-74/h6-10,18-20,22,26-33,42-44,52,54-62,81,91-92H,11-17,21,23-25,34-41,74-77H2,1-5H3,(H,82,96)(H,83,93)(H,84,94)(H,85,95)(H,86,98)(H,87,99)(H,88,97)(H,89,100)(H,102,103)(H4,78,79,80)/t52-,54+,55-,56+,57+,58+,59+,60+,61+,62+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.30E+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)) | BDBM50530412
(CHEMBL4462459)Show SMILES CC(C)[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(=O)N[C@@H](C(C)C)C(=O)N[C@@H](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/C69H107N17O12/c1-40(2)56(64(93)82-54(38-45-39-77-49-24-12-11-22-47(45)49)61(90)78-50(25-14-17-33-71)59(88)79-51(68(97)98)26-15-18-34-72)84-66(95)58(42(5)6)85-65(94)57(41(3)4)83-62(91)53(37-44-28-30-46(87)31-29-44)80-60(89)52(36-43-20-9-8-10-21-43)81-63(92)55(27-19-35-76-69(74)75)86(7)67(96)48(73)23-13-16-32-70/h8-12,20-22,24,28-31,39-42,48,50-58,77,87H,13-19,23,25-27,32-38,70-73H2,1-7H3,(H,78,90)(H,79,88)(H,80,89)(H,81,92)(H,82,93)(H,83,91)(H,84,95)(H,85,94)(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 | 9.50E+3 | 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)) | BDBM50530415
(CHEMBL4522427)Show SMILES CCCC[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](CCCCN)NC(=O)CCCCn1cc(CN(Cc2cn(CCCCC(=O)N[C@H](CCCCN)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(O)=O)nn2)Cc2cn(CCCCC(=O)N[C@H](CCCCN)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(O)=O)nn2)nn1)C(C)C)C(C)C)C(=O)N[C@H](CN[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(O)=O)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C234H359N61O38/c1-19-22-76-172(204(303)257-158(130-155-133-253-168-79-37-34-73-165(155)168)136-256-171(82-40-52-109-235)203(302)266-180(229(328)329)88-46-58-115-241)263-220(319)197(143(4)5)280-223(322)200(146(10)11)277-214(313)186(127-152-97-103-162(296)104-98-152)269-209(308)183(124-149-67-28-25-29-68-149)274-217(316)191(91-64-118-250-232(244)245)289(16)226(325)177(85-43-55-112-238)258-194(299)94-49-61-121-293-140-159(283-286-293)137-292(138-160-141-294(287-284-160)122-62-50-95-195(300)259-178(86-44-56-113-239)227(326)290(17)192(92-65-119-251-233(246)247)218(317)275-184(125-150-69-30-26-31-70-150)210(309)270-187(128-153-99-105-163(297)106-100-153)215(314)278-201(147(12)13)224(323)281-198(144(6)7)221(320)264-173(77-23-20-2)207(306)272-189(131-156-134-254-169-80-38-35-74-166(156)169)212(311)261-175(83-41-53-110-236)205(304)267-181(230(330)331)89-47-59-116-242)139-161-142-295(288-285-161)123-63-51-96-196(301)260-179(87-45-57-114-240)228(327)291(18)193(93-66-120-252-234(248)249)219(318)276-185(126-151-71-32-27-33-72-151)211(310)271-188(129-154-101-107-164(298)108-102-154)216(315)279-202(148(14)15)225(324)282-199(145(8)9)222(321)265-174(78-24-21-3)208(307)273-190(132-157-135-255-170-81-39-36-75-167(157)170)213(312)262-176(84-42-54-111-237)206(305)268-182(231(332)333)90-48-60-117-243/h25-39,67-75,79-81,97-108,133-135,140-148,158,171-193,197-202,253-256,296-298H,19-24,40-66,76-78,82-96,109-132,136-139,235-243H2,1-18H3,(H,257,303)(H,258,299)(H,259,300)(H,260,301)(H,261,311)(H,262,312)(H,263,319)(H,264,320)(H,265,321)(H,266,302)(H,267,304)(H,268,305)(H,269,308)(H,270,309)(H,271,310)(H,272,306)(H,273,307)(H,274,316)(H,275,317)(H,276,318)(H,277,313)(H,278,314)(H,279,315)(H,280,322)(H,281,323)(H,282,324)(H,328,329)(H,330,331)(H,332,333)(H4,244,245,250)(H4,246,247,251)(H4,248,249,252)/t158-,171-,172-,173-,174-,175-,176-,177+,178+,179+,180+,181+,182+,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,197-,198-,199-,200-,201-,202-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 190 | 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 | |
Leukocyte surface antigen CD47
(Homo sapiens (Human)) | BDBM50530414
(CHEMBL4585124)Show SMILES CC[C@H](C)[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/C70H109N17O12/c1-8-43(6)59(67(96)83-55(39-46-40-78-50-25-13-12-23-48(46)50)62(91)79-51(26-15-18-34-72)60(89)80-52(69(98)99)27-16-19-35-73)86-66(95)58(42(4)5)85-65(94)57(41(2)3)84-63(92)54(38-45-29-31-47(88)32-30-45)81-61(90)53(37-44-21-10-9-11-22-44)82-64(93)56(28-20-36-77-70(75)76)87(7)68(97)49(74)24-14-17-33-71/h9-13,21-23,25,29-32,40-43,49,51-59,78,88H,8,14-20,24,26-28,33-39,71-74H2,1-7H3,(H,79,91)(H,80,89)(H,81,90)(H,82,93)(H,83,96)(H,84,92)(H,85,94)(H,86,95)(H,98,99)(H4,75,76,77)/t43-,49+,51-,52+,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.70E+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)) | BDBM50530415
(CHEMBL4522427)Show SMILES CCCC[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](CCCCN)NC(=O)CCCCn1cc(CN(Cc2cn(CCCCC(=O)N[C@H](CCCCN)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(O)=O)nn2)Cc2cn(CCCCC(=O)N[C@H](CCCCN)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(O)=O)nn2)nn1)C(C)C)C(C)C)C(=O)N[C@H](CN[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(O)=O)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C234H359N61O38/c1-19-22-76-172(204(303)257-158(130-155-133-253-168-79-37-34-73-165(155)168)136-256-171(82-40-52-109-235)203(302)266-180(229(328)329)88-46-58-115-241)263-220(319)197(143(4)5)280-223(322)200(146(10)11)277-214(313)186(127-152-97-103-162(296)104-98-152)269-209(308)183(124-149-67-28-25-29-68-149)274-217(316)191(91-64-118-250-232(244)245)289(16)226(325)177(85-43-55-112-238)258-194(299)94-49-61-121-293-140-159(283-286-293)137-292(138-160-141-294(287-284-160)122-62-50-95-195(300)259-178(86-44-56-113-239)227(326)290(17)192(92-65-119-251-233(246)247)218(317)275-184(125-150-69-30-26-31-70-150)210(309)270-187(128-153-99-105-163(297)106-100-153)215(314)278-201(147(12)13)224(323)281-198(144(6)7)221(320)264-173(77-23-20-2)207(306)272-189(131-156-134-254-169-80-38-35-74-166(156)169)212(311)261-175(83-41-53-110-236)205(304)267-181(230(330)331)89-47-59-116-242)139-161-142-295(288-285-161)123-63-51-96-196(301)260-179(87-45-57-114-240)228(327)291(18)193(93-66-120-252-234(248)249)219(318)276-185(126-151-71-32-27-33-72-151)211(310)271-188(129-154-101-107-164(298)108-102-154)216(315)279-202(148(14)15)225(324)282-199(145(8)9)222(321)265-174(78-24-21-3)208(307)273-190(132-157-135-255-170-81-39-36-75-167(157)170)213(312)262-176(84-42-54-111-237)206(305)268-182(231(332)333)90-48-60-117-243/h25-39,67-75,79-81,97-108,133-135,140-148,158,171-193,197-202,253-256,296-298H,19-24,40-66,76-78,82-96,109-132,136-139,235-243H2,1-18H3,(H,257,303)(H,258,299)(H,259,300)(H,260,301)(H,261,311)(H,262,312)(H,263,319)(H,264,320)(H,265,321)(H,266,302)(H,267,304)(H,268,305)(H,269,308)(H,270,309)(H,271,310)(H,272,306)(H,273,307)(H,274,316)(H,275,317)(H,276,318)(H,277,313)(H,278,314)(H,279,315)(H,280,322)(H,281,323)(H,282,324)(H,328,329)(H,330,331)(H,332,333)(H4,244,245,250)(H4,246,247,251)(H4,248,249,252)/t158-,171-,172-,173-,174-,175-,176-,177+,178+,179+,180+,181+,182+,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,197-,198-,199-,200-,201-,202-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 190 | 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)) | BDBM50530409
(CHEMBL4470419)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)[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C70H109N17O12S/c1-42(2)58(65(94)79-51(32-37-100-7)60(89)83-55(40-46-41-78-50-24-12-11-22-48(46)50)68(97)87(6)56(26-15-18-35-73)63(92)80-52(69(98)99)25-14-17-34-72)85-66(95)59(43(3)4)84-62(91)54(39-45-28-30-47(88)31-29-45)81-61(90)53(38-44-20-9-8-10-21-44)82-64(93)57(27-19-36-77-70(75)76)86(5)67(96)49(74)23-13-16-33-71/h8-12,20-22,24,28-31,41-43,49,51-59,78,88H,13-19,23,25-27,32-40,71-74H2,1-7H3,(H,79,94)(H,80,92)(H,81,90)(H,82,93)(H,83,89)(H,84,91)(H,85,95)(H,98,99)(H4,75,76,77)/t49-,51+,52-,53+,54+,55+,56+,57+,58+,59+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.80E+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)) | BDBM50530413
(CHEMBL4545895)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)NC(=O)[C@H](N)CCCCN)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[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)61(90)83-55(39-45-40-77-49-23-11-10-21-47(45)49)67(96)86(5)56(26-14-17-34-72)64(93)80-52(68(97)98)24-13-16-33-71)85-66(95)58(42(3)4)84-63(92)54(38-44-27-29-46(87)30-28-44)82-62(91)53(37-43-19-8-7-9-20-43)81-60(89)50(25-18-35-76-69(74)75)78-59(88)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,78,88)(H,79,94)(H,80,93)(H,81,89)(H,82,91)(H,83,90)(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 | 4.80E+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 | |
Leukocyte surface antigen CD47
(Homo sapiens (Human)) | BDBM50530406
(CHEMBL4474790)Show SMILES CCCC[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/C70H109N17O12/c1-7-8-25-51(61(90)83-56(40-46-41-78-50-26-13-12-23-48(46)50)63(92)79-52(27-15-18-35-72)60(89)81-53(69(98)99)28-16-19-36-73)80-66(95)58(42(2)3)86-67(96)59(43(4)5)85-64(93)55(39-45-30-32-47(88)33-31-45)82-62(91)54(38-44-21-10-9-11-22-44)84-65(94)57(29-20-37-77-70(75)76)87(6)68(97)49(74)24-14-17-34-71/h9-13,21-23,26,30-33,41-43,49,51-59,78,88H,7-8,14-20,24-25,27-29,34-40,71-74H2,1-6H3,(H,79,92)(H,80,95)(H,81,89)(H,82,91)(H,83,90)(H,84,94)(H,85,93)(H,86,96)(H,98,99)(H4,75,76,77)/t49-,51+,52+,53-,54+,55+,56+,57+,58+,59+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.60E+3 | 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)) | BDBM50530407
(CHEMBL4462869)Show SMILES CC(C)C[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/C70H109N17O12/c1-41(2)36-53(61(90)82-56(39-46-40-78-50-24-12-11-22-48(46)50)63(92)79-51(25-14-17-33-72)60(89)80-52(69(98)99)26-15-18-34-73)84-66(95)58(42(3)4)86-67(96)59(43(5)6)85-64(93)55(38-45-28-30-47(88)31-29-45)81-62(91)54(37-44-20-9-8-10-21-44)83-65(94)57(27-19-35-77-70(75)76)87(7)68(97)49(74)23-13-16-32-71/h8-12,20-22,24,28-31,40-43,49,51-59,78,88H,13-19,23,25-27,32-39,71-74H2,1-7H3,(H,79,92)(H,80,89)(H,81,91)(H,82,90)(H,83,94)(H,84,95)(H,85,93)(H,86,96)(H,98,99)(H4,75,76,77)/t49-,51+,52-,53+,54+,55+,56+,57+,58+,59+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.50E+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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