Found 2 hits Enz. Inhib. hit(s) with Target = 'Leukocyte surface antigen CD47' and Ligand = 'BDBM50192013' 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)) | BDBM50192013
(CHEMBL3974452)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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.28E+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 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)) | BDBM50192013
(CHEMBL3974452)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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.90E+4 | 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 | |