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SMILES: Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCCCN2CC[C@H](O)C2)c(CN[C@@H]2CCCC[C@@H]2O)cc1Cl

InChI Key: InChIKey=SUMKPJIVYGYIME-VUWLVISGSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 482344   
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
Programmed cell death protein 1


(Homo sapiens)		BDBM482344
PNG
(US10919852, Compound TABLE 1.43)
Show SMILES Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCCCN2CC[C@H](O)C2)c(CN[C@@H]2CCCC[C@@H]2O)cc1Cl |r|
Show InChI InChI=1S/C44H60ClN3O6/c1-30-34(8-5-13-41(30)52-24-6-19-47-21-16-32(49)17-22-47)35-9-4-10-37-36(35)14-15-42(37)54-44-27-43(53-25-7-20-48-23-18-33(50)29-48)31(26-38(44)45)28-46-39-11-2-3-12-40(39)51/h4-5,8-10,13,26-27,32-33,39-40,42,46,49-51H,2-3,6-7,11-12,14-25,28-29H2,1H3/t33-,39+,40-,42-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...

US Patent US10919852 (2021)

More data for this
Ligand-Target Pair