BindingDB logo
myBDB logout

BDBM304271 US10143746, Example 5005

SMILES: CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)C(CC(O)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)NCC(N)=O

InChI Key: InChIKey=MRNXITSBVGGIIG-RREHHGNKSA-N

Data: 1 IC50

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 1 hit for monomerid = 304271   
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
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304271
PNG
(US10143746, Example 5005)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)C(CC(O)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C93H130N22O22S/c1-7-9-26-72-86(130)104-64(33-34-78(120)121)83(127)110-71(81(125)100-47-76(96)118)49-138-50-77(119)102-68(38-53-29-31-57(116)32-30-53)89(133)111(4)52(3)80(124)108-70(43-79(122)123)92(136)114-37-19-28-73(114)87(131)107-67(41-56-46-97-51-101-56)85(129)105-65(25-16-18-36-95)91(135)115-48-58(117)42-75(115)88(132)106-66(39-54-44-98-61-22-13-11-20-59(54)61)84(128)103-63(24-15-17-35-94)82(126)109-69(40-55-45-99-62-23-14-12-21-60(55)62)90(134)113(6)74(27-10-8-2)93(137)112(72)5/h11-14,20-23,29-32,44-46,51-52,58,63-75,98-99,116-117H,7-10,15-19,24-28,33-43,47-50,94-95H2,1-6H3,(H2,96,118)(H,97,101)(H,100,125)(H,102,119)(H,103,128)(H,104,130)(H,105,129)(H,106,132)(H,107,131)(H,108,124)(H,109,126)(H,110,127)(H,120,121)(H,122,123)/t52-,58+,63-,64-,65-,66-,67-,68-,69-,70?,71-,72-,73-,74-,75-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair