BDBM50091331 CHEMBL3582255::US9872852, Example 122

SMILES: Cc1c(COc2ccc(CNCC3CCC(=O)N3)cc2)cccc1-c1ccccc1

InChI Key: InChIKey=NIVJEFTUALCIHL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50091331   

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 1 (Homo sapiens (Human))	BDBM50091331 (CHEMBL3582255 | US9872852, Example 122) Show SMILES Cc1c(COc2ccc(CNCC3CCC(=O)N3)cc2)cccc1-c1ccccc1 Show InChI InChI=1S/C26H28N2O2/c1-19-22(8-5-9-25(19)21-6-3-2-4-7-21)18-30-24-13-10-20(11-14-24)16-27-17-23-12-15-26(29)28-23/h2-11,13-14,23,27H,12,15-18H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Binding affinity to His-tagged PD-L1 (unknown origin) assessed as inhibition of interaction with PD1 preincubated for 15 mins followed by PD1 additio...				ACS Med Chem Lett 6: 489-90 (2015) Article DOI: 10.1021/acsmedchemlett.5b00148 BindingDB Entry DOI: 10.7270/Q2445P63
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50091331 (CHEMBL3582255 | US9872852, Example 122) Show SMILES Cc1c(COc2ccc(CNCC3CCC(=O)N3)cc2)cccc1-c1ccccc1 Show InChI InChI=1S/C26H28N2O2/c1-19-22(8-5-9-25(19)21-6-3-2-4-7-21)18-30-24-13-10-20(11-14-24)16-27-17-23-12-15-26(29)28-23/h2-11,13-14,23,27H,12,15-18H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	555	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...				J Med Chem 51: 4-16 (2008) BindingDB Entry DOI: 10.7270/Q2RN3B42
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50091331 (CHEMBL3582255 | US9872852, Example 122) Show SMILES Cc1c(COc2ccc(CNCC3CCC(=O)N3)cc2)cccc1-c1ccccc1 Show InChI InChI=1S/C26H28N2O2/c1-19-22(8-5-9-25(19)21-6-3-2-4-7-21)18-30-24-13-10-20(11-14-24)16-27-17-23-12-15-26(29)28-23/h2-11,13-14,23,27H,12,15-18H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...				J Med Chem 51: 4-16 (2008) BindingDB Entry DOI: 10.7270/Q2RN3B42
					More data for this Ligand-Target Pair