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Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'magiera' and Initial = 'k'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50576595
PNG
(CHEMBL4869408)
Show SMILES COc1cc(ccc1CNCCNC(C)=O)-c1cccc(c1Cl)-c1ccc2OCCOc2c1
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n/an/a 0.820n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00957
BindingDB Entry DOI: 10.7270/Q20P13VB
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50504100
PNG
(CHEMBL4441950)
Show SMILES Cc1c(CO)cccc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H16O3/c1-11-13(10-17)3-2-4-14(11)12-5-6-15-16(9-12)19-8-7-18-15/h2-6,9,17H,7-8,10H2,1H3
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n/an/a 0.920n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 resid...

J Med Chem 62: 7250-7263 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00795
BindingDB Entry DOI: 10.7270/Q2QF8X35
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50504097
PNG
(CHEMBL4092122)
Show SMILES Cc1c(CO)cccc1-c1ccccc1
Show InChI InChI=1S/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3
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n/an/a 0.920n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 resid...

J Med Chem 62: 7250-7263 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00795
BindingDB Entry DOI: 10.7270/Q2QF8X35
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50576603
PNG
(CHEMBL4850593)
Show SMILES COc1cc(ccc1CNCCNC(N)=O)-c1cccc(c1Cl)-c1ccc2OCCOc2c1
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TBA

Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00957
BindingDB Entry DOI: 10.7270/Q20P13VB
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50576605
PNG
(CHEMBL4862352)
Show SMILES COc1cc(ccc1CNC(CO)(CO)CO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1
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TBA

Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00957
BindingDB Entry DOI: 10.7270/Q20P13VB
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50576601
PNG
(CHEMBL4862617)
Show SMILES COc1cc(ccc1CNCCNC(=O)CN)-c1cccc(c1Cl)-c1ccc2OCCOc2c1
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TBA

Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00957
BindingDB Entry DOI: 10.7270/Q20P13VB
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50576599
PNG
(CHEMBL4848702)
Show SMILES COc1cc(ccc1CN1CCN(CC1)C(=O)CN)-c1cccc(c1Cl)-c1ccc2OCCOc2c1
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00957
BindingDB Entry DOI: 10.7270/Q20P13VB
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50576598
PNG
(CHEMBL4878690)
Show SMILES COc1cc(ccc1CN1CCN(CC1)C(C)=O)-c1cccc(c1Cl)-c1ccc2OCCOc2c1
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TBA

Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00957
BindingDB Entry DOI: 10.7270/Q20P13VB
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50576604
PNG
(CHEMBL4879098)
Show SMILES COc1cc(ccc1CNC(CO)CO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1
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TBA

Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00957
BindingDB Entry DOI: 10.7270/Q20P13VB
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50576597
PNG
(CHEMBL4851450)
Show SMILES COc1cc(ccc1CN1CCN(CC1)C(N)=O)-c1cccc(c1Cl)-c1ccc2OCCOc2c1
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00957
BindingDB Entry DOI: 10.7270/Q20P13VB
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))		BDBM50239948
PNG
(CHEMBL4071326 | US9850225, Example 1166)
Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@H](O)C[C@@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ...

J Med Chem 60: 5857-5867 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50576602
PNG
(CHEMBL4865534)
Show SMILES COc1cc(ccc1CNCCNS(C)(=O)=O)-c1cccc(c1Cl)-c1ccc2OCCOc2c1
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00957
BindingDB Entry DOI: 10.7270/Q20P13VB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50504094
PNG
(CHEMBL4436703)
Show SMILES CCNCc1cc(C)c(OCc2cccc(c2C)-c2ccccc2)cc1OCc1cncc(c1)C#N
Show InChI InChI=1S/C31H31N3O2/c1-4-33-19-28-13-22(2)30(15-31(28)35-20-25-14-24(16-32)17-34-18-25)36-21-27-11-8-12-29(23(27)3)26-9-6-5-7-10-26/h5-15,17-18,33H,4,19-21H2,1-3H3
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n/an/a 2.20n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 resid...

J Med Chem 62: 7250-7263 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00795
BindingDB Entry DOI: 10.7270/Q2QF8X35
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))		BDBM50239946
PNG
(CHEMBL4084368)
Show SMILES Cc1cc(CN[C@H](CO)C(O)=O)c(OCc2cccc(c2)C#N)cc1OCc1cccc(c1C)-c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C35H34N2O7/c1-22-13-28(18-37-30(19-38)35(39)40)33(43-20-25-6-3-5-24(14-25)17-36)16-32(22)44-21-27-7-4-8-29(23(27)2)26-9-10-31-34(15-26)42-12-11-41-31/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40)/t30-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ...

J Med Chem 60: 5857-5867 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50239946
PNG
(CHEMBL4084368)
Show SMILES Cc1cc(CN[C@H](CO)C(O)=O)c(OCc2cccc(c2)C#N)cc1OCc1cccc(c1C)-c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C35H34N2O7/c1-22-13-28(18-37-30(19-38)35(39)40)33(43-20-25-6-3-5-24(14-25)17-36)16-32(22)44-21-27-7-4-8-29(23(27)2)26-9-10-31-34(15-26)42-12-11-41-31/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40)/t30-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human C-terminal His-tagged PD-L1 (18 to 239 residues)/human C-terminal IgG epitope-tagged PD1 (25 to 167 residues) expressed ...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00033
BindingDB Entry DOI: 10.7270/Q2HH6PS9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50504093
PNG
(CHEMBL4516321)
Show SMILES CC(=O)NCCNCc1cc(C)c(OCc2cccc(c2C)-c2ccccc2)cc1OCc1cncc(c1)C#N
Show InChI InChI=1S/C33H34N4O3/c1-23-14-30(20-35-12-13-37-25(3)38)33(39-21-27-15-26(17-34)18-36-19-27)16-32(23)40-22-29-10-7-11-31(24(29)2)28-8-5-4-6-9-28/h4-11,14-16,18-19,35H,12-13,20-22H2,1-3H3,(H,37,38)
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n/an/a 2.5n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 resid...

J Med Chem 62: 7250-7263 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00795
BindingDB Entry DOI: 10.7270/Q2QF8X35
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50504091
PNG
(CHEMBL4575618)
Show SMILES CC(=O)NCCNCc1cc(C)c(OCc2cccc(c2C)-c2cccc(COc3cc(OCc4cncc(c4)C#N)c(CNCCNC(C)=O)cc3C)c2C)cc1OCc1cncc(c1)C#N
Show InChI InChI=1S/C54H58N8O6/c1-35-17-47(29-57-13-15-61-39(5)63)53(65-31-43-19-41(23-55)25-59-27-43)21-51(35)67-33-45-9-7-11-49(37(45)3)50-12-8-10-46(38(50)4)34-68-52-22-54(66-32-44-20-42(24-56)26-60-28-44)48(18-36(52)2)30-58-14-16-62-40(6)64/h7-12,17-22,25-28,57-58H,13-16,29-34H2,1-6H3,(H,61,63)(H,62,64)
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n/an/a 3n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 resid...

J Med Chem 62: 7250-7263 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00795
BindingDB Entry DOI: 10.7270/Q2QF8X35
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50504099
PNG
(CHEMBL4528795)
Show SMILES CCNCc1cc(C)c(OCc2cccc(c2C)-c2cccc(COc3cc(OCc4cncc(c4)C#N)c(CNCC)cc3C)c2C)cc1OCc1cncc(c1)C#N
Show InChI InChI=1S/C50H52N6O4/c1-7-53-27-43-15-33(3)47(19-49(43)57-29-39-17-37(21-51)23-55-25-39)59-31-41-11-9-13-45(35(41)5)46-14-10-12-42(36(46)6)32-60-48-20-50(44(16-34(48)4)28-54-8-2)58-30-40-18-38(22-52)24-56-26-40/h9-20,23-26,53-54H,7-8,27-32H2,1-6H3
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n/an/a 3.80n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 resid...

J Med Chem 62: 7250-7263 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00795
BindingDB Entry DOI: 10.7270/Q2QF8X35
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50576606
PNG
(CHEMBL4861730)
Show SMILES Cc1c(cccc1-c1ccc2OCCOc2c1)-c1ccc(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@H](O)C[C@@H]3C(O)=O)cc2Cl)cc1 |r|
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n/an/a 3.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00957
BindingDB Entry DOI: 10.7270/Q20P13VB
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))		BDBM50239944
PNG
(CHEMBL4061613 | US9872852, Example 241)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN[C@@H](CO)C(C)C |r|
Show InChI InChI=1S/C28H35NO4/c1-19(2)26(17-30)29-16-25-27(31-4)14-23(15-28(25)32-5)33-18-22-12-9-13-24(20(22)3)21-10-7-6-8-11-21/h6-15,19,26,29-30H,16-18H2,1-5H3/t26-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ...

J Med Chem 60: 5857-5867 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))		BDBM50239942
PNG
(CHEMBL4081869 | US9872852, Example 37)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCCNC(C)=O
Show InChI InChI=1S/C27H32N2O4/c1-19-22(11-8-12-24(19)21-9-6-5-7-10-21)18-33-23-15-26(31-3)25(27(16-23)32-4)17-28-13-14-29-20(2)30/h5-12,15-16,28H,13-14,17-18H2,1-4H3,(H,29,30)
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n/an/a 6n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ...

J Med Chem 60: 5857-5867 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50576596
PNG
(CHEMBL4848029)
Show SMILES COc1cc(ccc1CN1CCNCC1)-c1cccc(c1Cl)-c1ccc2OCCOc2c1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00957
BindingDB Entry DOI: 10.7270/Q20P13VB
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))		BDBM50239947
PNG
(CHEMBL4089730 | US20230303494, Compound BMS202 | U...)
Show SMILES COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O
Show InChI InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)
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n/an/a 18n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ...

J Med Chem 60: 5857-5867 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50507504
PNG
(CHEMBL4537970)
Show SMILES Cc1c(\C=C\c2cc(CNC(C)(CO)C(O)=O)ccc2C(F)(F)F)cccc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C29H28F3NO5/c1-18-20(4-3-5-23(18)21-9-11-25-26(15-21)38-13-12-37-25)7-8-22-14-19(6-10-24(22)29(30,31)32)16-33-28(2,17-34)27(35)36/h3-11,14-15,33-34H,12-13,16-17H2,1-2H3,(H,35,36)/b8-7+
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at PD1/PD-L1 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00033
BindingDB Entry DOI: 10.7270/Q2HH6PS9
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50504092
PNG
(CHEMBL4525587)
Show SMILES COc1nc(OCc2cccc(c2C)-c2cccc(COc3ccc(CNCCNC(C)=O)c(OC)n3)c2C)ccc1CNCCNC(C)=O
Show InChI InChI=1S/C38H48N6O6/c1-25-31(23-49-35-15-13-29(37(43-35)47-5)21-39-17-19-41-27(3)45)9-7-11-33(25)34-12-8-10-32(26(34)2)24-50-36-16-14-30(38(44-36)48-6)22-40-18-20-42-28(4)46/h7-16,39-40H,17-24H2,1-6H3,(H,41,45)(H,42,46)
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n/an/a 25n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 resid...

J Med Chem 62: 7250-7263 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00795
BindingDB Entry DOI: 10.7270/Q2QF8X35
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))		BDBM50239945
PNG
(CHEMBL4062686 | US9872852, Example 200)
Show SMILES Cc1c(COc2cc(F)c(CNC[C@@H](O)CC(O)=O)cc2F)cccc1-c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C27H27F2NO6/c1-16-18(3-2-4-21(16)17-5-6-24-26(10-17)35-8-7-34-24)15-36-25-12-22(28)19(9-23(25)29)13-30-14-20(31)11-27(32)33/h2-6,9-10,12,20,30-31H,7-8,11,13-15H2,1H3,(H,32,33)/t20-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ...

J Med Chem 60: 5857-5867 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50239947
PNG
(CHEMBL4089730 | US20230303494, Compound BMS202 | U...)
Show SMILES COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O
Show InChI InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)
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n/an/a 96n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 resid...

J Med Chem 62: 7250-7263 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00795
BindingDB Entry DOI: 10.7270/Q2QF8X35
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM440668
PNG
(US10639284, Compound 2.019 | US11426364, Compound ...)
Show SMILES O[C@@H]1CCN(Cc2cc(Cl)c(O[C@H]3CCc4c3cccc4-c3ccccc3F)cc2OCc2cncc(c2)C#N)C1 |r|
Show InChI InChI=1S/C33H29ClFN3O3/c34-29-13-23(18-38-11-10-24(39)19-38)32(40-20-22-12-21(15-36)16-37-17-22)14-33(29)41-31-9-8-26-25(5-3-6-28(26)31)27-4-1-2-7-30(27)35/h1-7,12-14,16-17,24,31,39H,8-11,18-20H2/t24-,31+/m1/s1
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human PD1/PD-L1 preincubated with PD-L1 for 1 hr followed by incubation with PD1 for 1 hr by ELISA

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00033
BindingDB Entry DOI: 10.7270/Q2HH6PS9
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50576600
PNG
(CHEMBL4859460)
Show SMILES COc1cc(ccc1CN1CCN(CC1)S(C)(=O)=O)-c1cccc(c1Cl)-c1ccc2OCCOc2c1
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n/an/a 104n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00957
BindingDB Entry DOI: 10.7270/Q20P13VB
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))		BDBM50239943
PNG
(CHEMBL4099869 | US9872852, Example 8)
Show SMILES Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1
Show InChI InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31)
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n/an/a 146n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ...

J Med Chem 60: 5857-5867 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00293
BindingDB Entry DOI: 10.7270/Q2765HHP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50504101
PNG
(CHEMBL4585805)
Show SMILES CC(=O)NCCNCc1ccc(OCc2ccc(COc3ccc(CNCCNC(C)=O)c(OCc4cncc(c4)C#N)c3)c3ccccc23)cc1OCc1cncc(c1)C#N
Show InChI InChI=1S/C48H48N8O6/c1-33(57)55-15-13-51-27-39-9-11-43(19-47(39)61-29-37-17-35(21-49)23-53-25-37)59-31-41-7-8-42(46-6-4-3-5-45(41)46)32-60-44-12-10-40(28-52-14-16-56-34(2)58)48(20-44)62-30-38-18-36(22-50)24-54-26-38/h3-12,17-20,23-26,51-52H,13-16,27-32H2,1-2H3,(H,55,57)(H,56,58)
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n/an/a 462n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 resid...

J Med Chem 62: 7250-7263 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00795
BindingDB Entry DOI: 10.7270/Q2QF8X35
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50576592
PNG
(CHEMBL4861315)
Show SMILES OCc1ccc(cc1)-c1cccc(c1Cl)-c1ccc2OCCOc2c1
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n/an/a 510n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00957
BindingDB Entry DOI: 10.7270/Q20P13VB
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50576593
PNG
(CHEMBL4871440)
Show SMILES OCc1ccc(cc1)-c1cccc(c1Br)-c1ccc2OCCOc2c1
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n/an/a 950n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00957
BindingDB Entry DOI: 10.7270/Q20P13VB
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50576594
PNG
(CHEMBL4877179)
Show SMILES OCc1ccc(cc1)-c1cccc(-c2ccc3OCCOc3c2)c1C#N
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n/an/a 1.17E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00957
BindingDB Entry DOI: 10.7270/Q20P13VB
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50504096
PNG
(CHEMBL4453487)
Show SMILES CC(=O)NCCNCc1ccc(OCc2ccc3cc(COc4ccc(CNCCNC(C)=O)c(OCc5cncc(c5)C#N)c4)ccc3c2)cc1OCc1cncc(c1)C#N
Show InChI InChI=1S/C48H48N8O6/c1-33(57)55-13-11-51-27-43-7-9-45(19-47(43)61-31-39-15-37(21-49)23-53-25-39)59-29-35-3-5-42-18-36(4-6-41(42)17-35)30-60-46-10-8-44(28-52-12-14-56-34(2)58)48(20-46)62-32-40-16-38(22-50)24-54-26-40/h3-10,15-20,23-26,51-52H,11-14,27-32H2,1-2H3,(H,55,57)(H,56,58)
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n/an/a 1.17E+3n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 resid...

J Med Chem 62: 7250-7263 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00795
BindingDB Entry DOI: 10.7270/Q2QF8X35
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50563739
PNG
(CHEMBL4779400)
Show SMILES Cl.Cc1cc2nc(CN)c(NCc3ccccc3)n2cc1OCc1cccc(c1C)-c1ccc2OCCOc2c1
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n/an/a 1.83E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at PD1/PD-L1 (unknown origin) assessed as disruption of PD-1/PD-L1 complex by measuring PD-L1 dimerization measured after 2 hrs b...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00033
BindingDB Entry DOI: 10.7270/Q2HH6PS9
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))		BDBM50458422
PNG
(CHEMBL4216958)
Show SMILES NC(=O)c1c(NC(=O)COCc2cc(on2)-c2cccs2)sc2CCCCc12
Show InChI InChI=1S/C19H19N3O4S2/c20-18(24)17-12-4-1-2-5-14(12)28-19(17)21-16(23)10-25-9-11-8-13(26-22-11)15-6-3-7-27-15/h3,6-8H,1-2,4-5,9-10H2,(H2,20,24)(H,21,23)
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antibodypedia
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n/an/a 3.30E+3n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of human USP2a (258 to 605 residues) expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate incubated for 30 mins measured at 3...

Eur J Med Chem 150: 261-267 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.009
BindingDB Entry DOI: 10.7270/Q28G8P98
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2 [258-605]


(Homo sapiens (Human))		BDBM223973
PNG
(LCAE)
Show SMILES COC(=O)C1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)CC[C@H]23)C1 |r|
Show InChI InChI=1S/C26H42O4/c1-16(5-10-23(27)28)20-8-9-21-19-7-6-18-15-17(24(29)30-4)11-13-25(18,2)22(19)12-14-26(20,21)3/h16-22H,5-15H2,1-4H3,(H,27,28)/t16-,17?,18-,19+,20-,21+,22+,25+,26-/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Jagiellonian University



Assay Description
The assays were performed using Infinite 200 PRO - Tecan plate reader and 96-well, black Greiner microplates in a 100 ml reaction volume. The assays ...

Cell Chem Biol 24: 458-470 (2017)


Article DOI: 10.1016/j.chembiol.2017.03.002
BindingDB Entry DOI: 10.7270/Q21R6PDF
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2 [258-605]


(Homo sapiens (Human))		BDBM223976
PNG
(LCAHA)
Show SMILES C[C@H](CCC(=O)NO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C24H41NO3/c1-15(4-9-22(27)25-28)19-7-8-20-18-6-5-16-14-17(26)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,26,28H,4-14H2,1-3H3,(H,25,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Jagiellonian University



Assay Description
The assays were performed using Infinite 200 PRO - Tecan plate reader and 96-well, black Greiner microplates in a 100 ml reaction volume. The assays ...

Cell Chem Biol 24: 458-470 (2017)


Article DOI: 10.1016/j.chembiol.2017.03.002
BindingDB Entry DOI: 10.7270/Q21R6PDF
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50576591
PNG
(CHEMBL4853732)
Show SMILES Cc1c(cccc1-c1ccc2OCCOc2c1)-c1ccc(CO)cc1
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n/an/a 5.52E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00957
BindingDB Entry DOI: 10.7270/Q20P13VB
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2 [258-605]


(Homo sapiens (Human))		BDBM223973
PNG
(LCAE)
Show SMILES COC(=O)C1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)CC[C@H]23)C1 |r|
Show InChI InChI=1S/C26H42O4/c1-16(5-10-23(27)28)20-8-9-21-19-7-6-18-15-17(24(29)30-4)11-13-25(18,2)22(19)12-14-26(20,21)3/h16-22H,5-15H2,1-4H3,(H,27,28)/t16-,17?,18-,19+,20-,21+,22+,25+,26-/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Jagiellonian University



Assay Description
The assays were performed using Infinite 200 PRO - Tecan plate reader and 96-well, black Greiner microplates in a 100 ml reaction volume. The assays ...

Cell Chem Biol 24: 458-470 (2017)


Article DOI: 10.1016/j.chembiol.2017.03.002
BindingDB Entry DOI: 10.7270/Q21R6PDF
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2 [258-605]


(Homo sapiens (Human))		BDBM223972
PNG
(LCACN)
Show SMILES C[C@H](CCC(=O)NCC#N)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C26H42N2O2/c1-17(4-9-24(30)28-15-14-27)21-7-8-22-20-6-5-18-16-19(29)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,29H,4-13,15-16H2,1-3H3,(H,28,30)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Jagiellonian University



Assay Description
The assays were performed using Infinite 200 PRO - Tecan plate reader and 96-well, black Greiner microplates in a 100 ml reaction volume. The assays ...

Cell Chem Biol 24: 458-470 (2017)


Article DOI: 10.1016/j.chembiol.2017.03.002
BindingDB Entry DOI: 10.7270/Q21R6PDF
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50504095
PNG
(CHEMBL4565838)
Show SMILES CC(=O)NCCNCc1ccc(OCc2ccc(COc3ccc(CNCCNC(C)=O)c(OCc4cncc(c4)C#N)c3)cc2)cc1OCc1cncc(c1)C#N
Show InChI InChI=1S/C44H46N8O6/c1-31(53)51-13-11-47-25-39-7-9-41(17-43(39)57-29-37-15-35(19-45)21-49-23-37)55-27-33-3-5-34(6-4-33)28-56-42-10-8-40(26-48-12-14-52-32(2)54)44(18-42)58-30-38-16-36(20-46)22-50-24-38/h3-10,15-18,21-24,47-48H,11-14,25-30H2,1-2H3,(H,51,53)(H,52,54)
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n/an/a 8.24E+3n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 resid...

J Med Chem 62: 7250-7263 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00795
BindingDB Entry DOI: 10.7270/Q2QF8X35
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))		BDBM50458415
PNG
(CHEMBL567508 | EN300-02284)
Show SMILES NC(=O)c1c(N)sc2CCCCc12
Show InChI InChI=1S/C9H12N2OS/c10-8(12)7-5-3-1-2-4-6(5)13-9(7)11/h1-4,11H2,(H2,10,12)
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MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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n/an/a 8.70E+3n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of human USP2a (258 to 605 residues) expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate incubated for 30 mins measured at 3...

Eur J Med Chem 150: 261-267 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.009
BindingDB Entry DOI: 10.7270/Q28G8P98
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50563737
PNG
(CHEMBL4740244)
Show SMILES Cl.CC(Nc1c(CN)nc2ccc(OCc3cccc(c3C)-c3ccccc3)cn12)c1ccccc1
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n/an/a 9.33E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at PD1/PD-L1 (unknown origin) assessed as disruption of PD-1/PD-L1 complex by measuring PD-L1 dimerization measured after 2 hrs b...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00033
BindingDB Entry DOI: 10.7270/Q2HH6PS9
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2 [258-605]


(Homo sapiens (Human))		BDBM223976
PNG
(LCAHA)
Show SMILES C[C@H](CCC(=O)NO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C24H41NO3/c1-15(4-9-22(27)25-28)19-7-8-20-18-6-5-16-14-17(26)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,26,28H,4-14H2,1-3H3,(H,25,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
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n/an/a 9.70E+3n/an/an/an/an/an/a



Jagiellonian University



Assay Description
The assays were performed using Infinite 200 PRO - Tecan plate reader and 96-well, black Greiner microplates in a 100 ml reaction volume. The assays ...

Cell Chem Biol 24: 458-470 (2017)


Article DOI: 10.1016/j.chembiol.2017.03.002
BindingDB Entry DOI: 10.7270/Q21R6PDF
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50504098
PNG
(CHEMBL4554167)
Show SMILES CC(=O)NCCNCc1ccc(OCc2cccc(COc3ccc(CNCCNC(C)=O)c(OCc4cncc(c4)C#N)c3)c2)cc1OCc1cncc(c1)C#N
Show InChI InChI=1S/C44H46N8O6/c1-31(53)51-12-10-47-25-39-6-8-41(17-43(39)57-29-37-15-35(19-45)21-49-23-37)55-27-33-4-3-5-34(14-33)28-56-42-9-7-40(26-48-11-13-52-32(2)54)44(18-42)58-30-38-16-36(20-46)22-50-24-38/h3-9,14-18,21-24,47-48H,10-13,25-30H2,1-2H3,(H,51,53)(H,52,54)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 resid...

J Med Chem 62: 7250-7263 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00795
BindingDB Entry DOI: 10.7270/Q2QF8X35
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM50563736
PNG
(CHEMBL4748878)
Show SMILES Cl.Cc1c(COc2ccc3nc(CN)c(NCc4ccccc4)n3c2)cccc1-c1ccccc1
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n/an/a 1.02E+4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at PD1/PD-L1 (unknown origin) assessed as disruption of PD-1/PD-L1 complex by measuring PD-L1 dimerization measured after 2 hrs b...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00033
BindingDB Entry DOI: 10.7270/Q2HH6PS9
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2 [258-605]


(Homo sapiens (Human))		BDBM223972
PNG
(LCACN)
Show SMILES C[C@H](CCC(=O)NCC#N)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C26H42N2O2/c1-17(4-9-24(30)28-15-14-27)21-7-8-22-20-6-5-18-16-19(29)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,29H,4-13,15-16H2,1-3H3,(H,28,30)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
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n/an/a 1.39E+4n/an/an/an/an/an/a



Jagiellonian University



Assay Description
The assays were performed using Infinite 200 PRO - Tecan plate reader and 96-well, black Greiner microplates in a 100 ml reaction volume. The assays ...

Cell Chem Biol 24: 458-470 (2017)


Article DOI: 10.1016/j.chembiol.2017.03.002
BindingDB Entry DOI: 10.7270/Q21R6PDF
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2 [258-605]


(Homo sapiens (Human))		BDBM223975
PNG
(LCANH2)
Show SMILES C[C@H](CCC(N)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C24H41NO2/c1-15(4-9-22(25)27)19-7-8-20-18-6-5-16-14-17(26)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,26H,4-14H2,1-3H3,(H2,25,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
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n/an/a 1.67E+4n/an/an/an/an/an/a



Jagiellonian University



Assay Description
The assays were performed using Infinite 200 PRO - Tecan plate reader and 96-well, black Greiner microplates in a 100 ml reaction volume. The assays ...

Cell Chem Biol 24: 458-470 (2017)


Article DOI: 10.1016/j.chembiol.2017.03.002
BindingDB Entry DOI: 10.7270/Q21R6PDF
More data for this
Ligand-Target Pair
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