Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50011927   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50552490 (CHEMBL4759600) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)CC)[C@@H](C)CC |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115951 BindingDB Entry DOI: 10.7270/Q2BV7M81
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50552491 (CHEMBL4777505) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115951 BindingDB Entry DOI: 10.7270/Q2BV7M81
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50552489 (CHEMBL4763905) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115951 BindingDB Entry DOI: 10.7270/Q2BV7M81
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50552492 (CHEMBL4791550) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115951 BindingDB Entry DOI: 10.7270/Q2BV7M81
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50552495 (CHEMBL4798338) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115951 BindingDB Entry DOI: 10.7270/Q2BV7M81
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50552493 (CHEMBL4790749) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115951 BindingDB Entry DOI: 10.7270/Q2BV7M81
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50552494 (CHEMBL4791798) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA				Citation and Details Article DOI: 10.1016/j.bmc.2020.115951 BindingDB Entry DOI: 10.7270/Q2BV7M81
					More data for this Ligand-Target Pair