BDBM50091334 CHEMBL3582252

SMILES: COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN1CCCC[C@H]1C(O)=O

InChI Key: InChIKey=ZBOYJODMIAUJHH-SANMLTNESA-N

Data: 2 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 = 50091334   

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))	BDBM50091334 (CHEMBL3582252) Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN1CCCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C29H33NO5/c1-20-22(12-9-13-24(20)21-10-5-4-6-11-21)19-35-23-16-27(33-2)25(28(17-23)34-3)18-30-15-8-7-14-26(30)29(31)32/h4-6,9-13,16-17,26H,7-8,14-15,18-19H2,1-3H3,(H,31,32)/t26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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
PD-1/PD-L1 (Homo sapiens-Homo sapiens (Human))	BDBM50091334 (CHEMBL3582252) Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN1CCCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C29H33NO5/c1-20-22(12-9-13-24(20)21-10-5-4-6-11-21)19-35-23-16-27(33-2)25(28(17-23)34-3)18-30-15-8-7-14-26(30)29(31)32/h4-6,9-13,16-17,26H,7-8,14-15,18-19H2,1-3H3,(H,31,32)/t26-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
PD-1/PD-L1 (Homo sapiens-Homo sapiens (Human))	BDBM50091334 (CHEMBL3582252) Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN1CCCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C29H33NO5/c1-20-22(12-9-13-24(20)21-10-5-4-6-11-21)19-35-23-16-27(33-2)25(28(17-23)34-3)18-30-15-8-7-14-26(30)29(31)32/h4-6,9-13,16-17,26H,7-8,14-15,18-19H2,1-3H3,(H,31,32)/t26-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction after 15 mins by HTRF assay				J Med Chem 62: 4703-4715 (2019) Article DOI: 10.1021/acs.jmedchem.9b00312
					More data for this Ligand-Target Pair