BDBM474538 US10882844, Example 1005

SMILES: Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C1CCN(CC1)C1CC1

InChI Key: InChIKey=SDNWEJRZALRUJT-LHEWISCISA-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 = 474538   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM474538 (US10882844, Example 1005) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C1CCN(CC1)C1CC1 |r| Show InChI InChI=1S/C43H44ClN5O5/c1-27-32(5-4-6-35(27)31-8-11-39-37(19-31)47-42(54-39)30-12-15-48(16-13-30)34-9-10-34)26-53-41-20-40(52-25-29-17-28(21-45)22-46-23-29)33(18-36(41)44)24-49-14-3-2-7-38(49)43(50)51/h4-6,8,11,17-20,22-23,30,34,38H,2-3,7,9-10,12-16,24-26H2,1H3,(H,50,51)/t38-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US10882844 (2021)
					More data for this Ligand-Target Pair