Found 2 hits Enz. Inhib. hit(s) with Target = 'Leukocyte surface antigen CD47' and Ligand = 'BDBM50192009' 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)) | BDBM50192009
(CHEMBL3946082)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(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/C58H84N14O10S/c1-33(2)48(56(81)67-44(25-28-83-6)52(77)70-47(31-38-32-64-41-18-11-10-17-40(38)41)54(79)66-42(50(60)75)19-12-13-26-59)72-57(82)49(34(3)4)71-55(80)46(30-37-21-23-39(74)24-22-37)69-53(78)45(29-36-15-8-7-9-16-36)68-51(76)43(65-35(5)73)20-14-27-63-58(61)62/h7-11,15-18,21-24,32-34,42-49,64,74H,12-14,19-20,25-31,59H2,1-6H3,(H2,60,75)(H,65,73)(H,66,79)(H,67,81)(H,68,76)(H,69,78)(H,70,77)(H,71,80)(H,72,82)(H4,61,62,63)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 771 | n/a | n/a | n/a | n/a | n/a |
Sorbonne Universit£s
Curated by ChEMBL
| Assay Description Binding affinity to CD47 receptor in human NT.115-labeled MEC1 cell membranes after 5 mins by MST assay |
J Med Chem 59: 8412-21 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00781 BindingDB Entry DOI: 10.7270/Q2251M4K |
More data for this Ligand-Target Pair | |
Leukocyte surface antigen CD47
(Homo sapiens (Human)) | BDBM50192009
(CHEMBL3946082)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(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/C58H84N14O10S/c1-33(2)48(56(81)67-44(25-28-83-6)52(77)70-47(31-38-32-64-41-18-11-10-17-40(38)41)54(79)66-42(50(60)75)19-12-13-26-59)72-57(82)49(34(3)4)71-55(80)46(30-37-21-23-39(74)24-22-37)69-53(78)45(29-36-15-8-7-9-16-36)68-51(76)43(65-35(5)73)20-14-27-63-58(61)62/h7-11,15-18,21-24,32-34,42-49,64,74H,12-14,19-20,25-31,59H2,1-6H3,(H2,60,75)(H,65,73)(H,66,79)(H,67,81)(H,68,76)(H,69,78)(H,70,77)(H,71,80)(H,72,82)(H4,61,62,63)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
Sorbonne Universit£s
Curated by ChEMBL
| Assay Description Binding affinity to CD47 receptor in human biotinylated MEC1 cell membranes by biolayer interferometry |
J Med Chem 59: 8412-21 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00781 BindingDB Entry DOI: 10.7270/Q2251M4K |
More data for this Ligand-Target Pair | |