Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 11126   

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/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592995 (US11578054, Example 1017) Show SMILES CC(=O)NC1CCN(CCCOc2cccc(c2Cl)-c2cccc3C(CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592970 (US11578054, Example 1002) Show SMILES CN1CCCC(COc2cccc(c2Cl)-c2cccc3C(CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM593000 (US11578054, Example 1021) Show SMILES OCC[C@@H](NCc1cc(Cl)c(OC2CCc3c2cccc3-c2cccc(OCCCNC[C@H](O)CO)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592969 (US11578054, Example 1001) Show SMILES CN1CCCC(COc2cccc(c2Cl)-c2cccc3C(CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592989 (US11578054, Example 1012) Show SMILES Cc1c(OCCCN2CC[C@@H](O)C2)cccc1-c1cccc2C(CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CN[C@](C)(CO)C(O)=O)cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592992 (US11578054, Example 1015) Show SMILES Cc1c(OCCCN2CC[C@@H](O)C2)cccc1-c1cccc2C(CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CN[C@@H](CCO)C(O)=O)cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592987 (US11578054, Example 1010) Show SMILES CN1CCC[C@H](COc2cccc(c2Cl)-c2cccc3[C@@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592997 (US11578054, Example 1019) Show SMILES C[C@](CO)(NCc1cc(Cl)c(OC2CCc3c2cccc3-c2cccc(OCCCNC[C@H](O)CO)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592996 (US11578054, Example 1018) Show SMILES CC(=O)NC1CCN(CCCOc2cccc(c2Cl)-c2cccc3C(CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN[C@@H](CCO)C(O)=O)cc2Cl)CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592984 (US11578054, Example 1008) Show SMILES CN1CCC[C@H](COc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)C1 |r| Show InChI	PDB UniProtKB/SwissProt 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592994 (US11578054, Example 1016) Show SMILES CC(=O)NC1CCN(CCCOc2cccc(c2Cl)-c2cccc3C(CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592979 (US11578054, Example 1006) Show SMILES CN1CCC[C@@H](COc2cccc(c2Cl)-c2cccc3[C@@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592974 (US11578054, Example 1004) Show SMILES CN1CCC[C@@H](COc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592982 (US11578054, Example 1007) Show SMILES CN1CCC[C@@H](COc2cccc(c2Cl)-c2cccc3[C@@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CO)cc2Cl)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592991 (US11578054, Example 1014) Show SMILES Cc1c(OCCCN2CC[C@@H](O)C2)cccc1-c1cccc2C(CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CN2CCCC[C@H]2C(O)=O)cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592973 (US11578054, Example 1003) Show SMILES CN1CCCC(COc2cccc(c2Cl)-c2cccc3C(CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CO)cc2Cl)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592988 (US11578054, Example 1011) Show SMILES CN1CCC[C@H](COc2cccc(c2Cl)-c2cccc3[C@@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CO)cc2Cl)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592978 (US11578054, Example 1005) Show SMILES CN1CCC[C@@H](COc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CO)cc2Cl)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592998 (US11578054, Example 1020) Show SMILES OC[C@@H](O)CNCCCOc1cccc(c1Cl)-c1cccc2C(CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CO)cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592990 (US11578054, Example 1013) Show SMILES Cc1c(OCCCN2CC[C@@H](O)C2)cccc1-c1cccc2C(CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CO)cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM592985 (US11578054, Example 1009) Show SMILES CN1CCC[C@H](COc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CO)cc2Cl)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q28P64FR
					More data for this Ligand-Target Pair