null

SMILES: OC[C@H](NCc1cc(Cl)c(OC2CCc3c2cccc3-c2ccccc2)cc1OCc1cncc(c1)C#N)C(O)=O

InChI Key: InChIKey=XINKNBMIVAEBNP-UKDJSQQHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 36335   

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))	BDBM36335 (US10639284, Compound 1.001 | US11426364, Compound ...) Show SMILES OC[C@H](NCc1cc(Cl)c(OC2CCc3c2cccc3-c2ccccc2)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C30H41FN4O13/c1-17(2)25(28(41)33-21(14-24(38)46-5)29(42)48-16-31)35-26(39)19(11-12-22(36)44-3)32-27(40)20(13-23(37)45-4)34-30(43)47-15-18-9-7-6-8-10-18/h6-10,17,19-21,25H,11-16H2,1-5H3,(H,32,40)(H,33,41)(H,34,43)(H,35,39)/t19-,20-,21-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description Plates were coated with 1 μg/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with PBS containing 2% BSA...				US Patent US10639284 (2020) BindingDB Entry DOI: 10.7270/Q25Q5043
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM36335 (US10639284, Compound 1.001 | US11426364, Compound ...) Show SMILES OC[C@H](NCc1cc(Cl)c(OC2CCc3c2cccc3-c2ccccc2)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C30H41FN4O13/c1-17(2)25(28(41)33-21(14-24(38)46-5)29(42)48-16-31)35-26(39)19(11-12-22(36)44-3)32-27(40)20(13-23(37)45-4)34-30(43)47-15-18-9-7-6-8-10-18/h6-10,17,19-21,25H,11-16H2,1-5H3,(H,32,40)(H,33,41)(H,34,43)(H,35,39)/t19-,20-,21-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PD-1/PDL1 protein-protein interaction (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128403 BindingDB Entry DOI: 10.7270/Q2RB78HK
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM36335 (US10639284, Compound 1.001 | US11426364, Compound ...) Show SMILES OC[C@H](NCc1cc(Cl)c(OC2CCc3c2cccc3-c2ccccc2)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C30H41FN4O13/c1-17(2)25(28(41)33-21(14-24(38)46-5)29(42)48-16-31)35-26(39)19(11-12-22(36)44-3)32-27(40)20(13-23(37)45-4)34-30(43)47-15-18-9-7-6-8-10-18/h6-10,17,19-21,25H,11-16H2,1-5H3,(H,32,40)(H,33,41)(H,34,43)(H,35,39)/t19-,20-,21-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plates were coated with 1 μg/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with PBS containing 2% ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K93BSK
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM36335 (US10639284, Compound 1.001 | US11426364, Compound ...) Show SMILES OC[C@H](NCc1cc(Cl)c(OC2CCc3c2cccc3-c2ccccc2)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C30H41FN4O13/c1-17(2)25(28(41)33-21(14-24(38)46-5)29(42)48-16-31)35-26(39)19(11-12-22(36)44-3)32-27(40)20(13-23(37)45-4)34-30(43)47-15-18-9-7-6-8-10-18/h6-10,17,19-21,25H,11-16H2,1-5H3,(H,32,40)(H,33,41)(H,34,43)(H,35,39)/t19-,20-,21-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PDL1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113377 BindingDB Entry DOI: 10.7270/Q28919MC
					More data for this Ligand-Target Pair