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SMILES: CNC(=O)C1CN(Cc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CNC[C@@H]3CCC(=O)N3)c(OC)n2)C1

InChI Key: InChIKey=GWCIHNHWFRBBFD-FQEVSTJZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 452417   
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 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452417
PNG
(US10710986, Example 558)
Show SMILES CNC(=O)C1CN(Cc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CNC[C@@H]3CCC(=O)N3)c(OC)n2)C1 |r|
Show InChI InChI=1S/C34H36Cl2N8O4/c1-37-32(46)19-16-44(17-19)18-28-34(48-3)43-26(15-40-28)24-9-5-7-22(31(24)36)21-6-4-8-23(30(21)35)25-14-39-27(33(42-25)47-2)13-38-12-20-10-11-29(45)41-20/h4-9,14-15,19-20,38H,10-13,16-18H2,1-3H3,(H,37,46)(H,41,45)/t20-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0640n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)

More data for this
Ligand-Target Pair