BindingDB logo
myBDB logout

null

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](CCCCN)NC(C)=O)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(N)=O

InChI Key: InChIKey=YSBLDQMUSOQJJY-PVGXKDMPSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50192014   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukocyte surface antigen CD47


(Homo sapiens (Human))
BDBM50192014
PNG
(CHEMBL3891508)
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](CCCCN)NC(C)=O)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(N)=O |r|
Show InChI InChI=1S/C70H108N18O12S/c1-41(2)58(68(99)83-54(31-36-101-6)64(95)86-57(39-46-40-78-49-22-11-10-21-48(46)49)66(97)82-52(25-14-17-34-73)62(93)80-50(60(74)91)23-12-15-32-71)88-69(100)59(42(3)4)87-67(98)56(38-45-27-29-47(90)30-28-45)85-65(96)55(37-44-19-8-7-9-20-44)84-63(94)53(26-18-35-77-70(75)76)81-61(92)51(79-43(5)89)24-13-16-33-72/h7-11,19-22,27-30,40-42,50-59,78,90H,12-18,23-26,31-39,71-73H2,1-6H3,(H2,74,91)(H,79,89)(H,80,93)(H,81,92)(H,82,97)(H,83,99)(H,84,94)(H,85,96)(H,86,95)(H,87,98)(H,88,100)(H4,75,76,77)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 4.00E+4n/an/an/an/an/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)


BindingDB Entry DOI: 10.7270/Q2251M4K
More data for this
Ligand-Target Pair
Leukocyte surface antigen CD47


(Homo sapiens (Human))
BDBM50192014
PNG
(CHEMBL3891508)
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](CCCCN)NC(C)=O)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(N)=O |r|
Show InChI InChI=1S/C70H108N18O12S/c1-41(2)58(68(99)83-54(31-36-101-6)64(95)86-57(39-46-40-78-49-22-11-10-21-48(46)49)66(97)82-52(25-14-17-34-73)62(93)80-50(60(74)91)23-12-15-32-71)88-69(100)59(42(3)4)87-67(98)56(38-45-27-29-47(90)30-28-45)85-65(96)55(37-44-19-8-7-9-20-44)84-63(94)53(26-18-35-77-70(75)76)81-61(92)51(79-43(5)89)24-13-16-33-72/h7-11,19-22,27-30,40-42,50-59,78,90H,12-18,23-26,31-39,71-73H2,1-6H3,(H2,74,91)(H,79,89)(H,80,93)(H,81,92)(H,82,97)(H,83,99)(H,84,94)(H,85,96)(H,86,95)(H,87,98)(H,88,100)(H4,75,76,77)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 1.20E+3n/an/an/an/an/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)


BindingDB Entry DOI: 10.7270/Q2251M4K
More data for this
Ligand-Target Pair