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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with Target = 'Glycoprotein G'   
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
Thrombospondin-1


(Homo sapiens)
BDBM50541838
PNG
(CHEMBL4649483)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C17H33N5O5/c1-10(2)8-13(15(19)25)22-16(26)12(6-4-5-7-18)21-17(27)14(9-23)20-11(3)24/h10,12-14,23H,4-9,18H2,1-3H3,(H2,19,25)(H,20,24)(H,21,27)(H,22,26)/t12-,13-,14+/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA


ACS Med Chem Lett 11: 1130-1136 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00540
BindingDB Entry DOI: 10.7270/Q2M330BV
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM50541831
PNG
(CHEMBL4644535)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@H](CO)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C19H37N5O5/c1-12(2)10-15(17(20)27)23-18(28)14(8-6-7-9-24(4)5)22-19(29)16(11-25)21-13(3)26/h12,14-16,25H,6-11H2,1-5H3,(H2,20,27)(H,21,26)(H,22,29)(H,23,28)/t14-,15-,16-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA


ACS Med Chem Lett 11: 1130-1136 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00540
BindingDB Entry DOI: 10.7270/Q2M330BV
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM50541837
PNG
(CHEMBL4642848)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C17H33N5O5/c1-10(2)8-13(15(19)25)22-16(26)12(6-4-5-7-18)21-17(27)14(9-23)20-11(3)24/h10,12-14,23H,4-9,18H2,1-3H3,(H2,19,25)(H,20,24)(H,21,27)(H,22,26)/t12-,13+,14+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA


ACS Med Chem Lett 11: 1130-1136 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00540
BindingDB Entry DOI: 10.7270/Q2M330BV
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM50541836
PNG
(CHEMBL4642780)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C17H33N5O5/c1-10(2)8-13(15(19)25)22-16(26)12(6-4-5-7-18)21-17(27)14(9-23)20-11(3)24/h10,12-14,23H,4-9,18H2,1-3H3,(H2,19,25)(H,20,24)(H,21,27)(H,22,26)/t12-,13+,14-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA


ACS Med Chem Lett 11: 1130-1136 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00540
BindingDB Entry DOI: 10.7270/Q2M330BV
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM50541828
PNG
(CHEMBL4633877)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C18H35N5O5/c1-11(2)9-15(16(20)26)23(4)18(28)13(7-5-6-8-19)22-17(27)14(10-24)21-12(3)25/h11,13-15,24H,5-10,19H2,1-4H3,(H2,20,26)(H,21,25)(H,22,27)/t13-,14-,15-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA


ACS Med Chem Lett 11: 1130-1136 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00540
BindingDB Entry DOI: 10.7270/Q2M330BV
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM50541833
PNG
(CHEMBL4636492)
Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O |r|
Show InChI InChI=1S/C19H37N5O5/c1-11(2)10-15(17(27)21-5)24-18(28)14(8-6-7-9-20)23-19(29)16(12(3)25)22-13(4)26/h11-12,14-16,25H,6-10,20H2,1-5H3,(H,21,27)(H,22,26)(H,23,29)(H,24,28)/t12-,14-,15+,16+/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA


ACS Med Chem Lett 11: 1130-1136 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00540
BindingDB Entry DOI: 10.7270/Q2M330BV
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM50541832
PNG
(CHEMBL4648099)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(=O)N(C)C |r|
Show InChI InChI=1S/C19H37N5O5/c1-12(2)10-15(19(29)24(4)5)23-17(27)14(8-6-7-9-20)22-18(28)16(11-25)21-13(3)26/h12,14-16,25H,6-11,20H2,1-5H3,(H,21,26)(H,22,28)(H,23,27)/t14-,15-,16-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA


ACS Med Chem Lett 11: 1130-1136 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00540
BindingDB Entry DOI: 10.7270/Q2M330BV
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM50541830
PNG
(CHEMBL4647669)
Show SMILES CNCCCC[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C18H35N5O5/c1-11(2)9-14(16(19)26)23-17(27)13(7-5-6-8-20-4)22-18(28)15(10-24)21-12(3)25/h11,13-15,20,24H,5-10H2,1-4H3,(H2,19,26)(H,21,25)(H,22,28)(H,23,27)/t13-,14-,15-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA


ACS Med Chem Lett 11: 1130-1136 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00540
BindingDB Entry DOI: 10.7270/Q2M330BV
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM50541826
PNG
(CHEMBL4644244)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C17H33N5O5/c1-10(2)8-13(15(19)25)22-16(26)12(6-4-5-7-18)21-17(27)14(9-23)20-11(3)24/h10,12-14,23H,4-9,18H2,1-3H3,(H2,19,25)(H,20,24)(H,21,27)(H,22,26)/t12-,13-,14-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA


ACS Med Chem Lett 11: 1130-1136 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00540
BindingDB Entry DOI: 10.7270/Q2M330BV
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM50541839
PNG
(CHEMBL4649293)
Show SMILES CC(=O)N[C@@H](CCCN)C(=O)NC(C)(C)C(N)=O |r|
Show InChI InChI=1S/C11H22N4O3/c1-7(16)14-8(5-4-6-12)9(17)15-11(2,3)10(13)18/h8H,4-6,12H2,1-3H3,(H2,13,18)(H,14,16)(H,15,17)/t8-/m0/s1
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n/an/a 7.60n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA


ACS Med Chem Lett 11: 1130-1136 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00540
BindingDB Entry DOI: 10.7270/Q2M330BV
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM50541827
PNG
(CHEMBL4644046)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C18H34N6O5/c1-10(2)8-13(16(21)27)24-17(28)12(6-4-5-7-19)23-18(29)14(9-15(20)26)22-11(3)25/h10,12-14H,4-9,19H2,1-3H3,(H2,20,26)(H2,21,27)(H,22,25)(H,23,29)(H,24,28)/t12-,13-,14-/m0/s1
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n/an/a 9.5n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA


ACS Med Chem Lett 11: 1130-1136 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00540
BindingDB Entry DOI: 10.7270/Q2M330BV
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM50541834
PNG
(CHEMBL4644197)
Show SMILES CCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C18H35N5O5/c1-4-15(25)21-14(10-24)18(28)22-12(7-5-6-8-19)17(27)23-13(16(20)26)9-11(2)3/h11-14,24H,4-10,19H2,1-3H3,(H2,20,26)(H,21,25)(H,22,28)(H,23,27)/t12-,13-,14-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA


ACS Med Chem Lett 11: 1130-1136 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00540
BindingDB Entry DOI: 10.7270/Q2M330BV
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM50541835
PNG
(CHEMBL4645518)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C16H31N5O4/c1-10(2)8-13(15(18)24)21-16(25)12(6-4-5-7-17)20-14(23)9-19-11(3)22/h10,12-13H,4-9,17H2,1-3H3,(H2,18,24)(H,19,22)(H,20,23)(H,21,25)/t12-,13-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA


ACS Med Chem Lett 11: 1130-1136 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00540
BindingDB Entry DOI: 10.7270/Q2M330BV
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM50541829
PNG
(CHEMBL4638959)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CO)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C19H35N5O6/c1-11(2)9-15(17(20)28)24-18(29)14(7-5-6-8-21-12(3)26)23-19(30)16(10-25)22-13(4)27/h11,14-16,25H,5-10H2,1-4H3,(H2,20,28)(H,21,26)(H,22,27)(H,23,30)(H,24,29)/t14-,15-,16-/m0/s1
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Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA


ACS Med Chem Lett 11: 1130-1136 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00540
BindingDB Entry DOI: 10.7270/Q2M330BV
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM521734
PNG
(US11149066, Compound 9)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC1=O)C(C)C)C(C)C)C(N)=O |r|
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n/an/an/a 0.230n/an/an/an/an/a


TBA

Assay Description
As referred to herein, the TSP1 inhibitory activity refers to the activity to inhibit one or more effects of TSP1, including angiostatic effect. The ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2T4B
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM521735
PNG
(US11149066, Compound 10)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC1=O)C(C)C)C(C)C)C(N)=O |r|
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n/an/an/a 0.0910n/an/an/an/an/a


TBA

Assay Description
As referred to herein, the TSP1 inhibitory activity refers to the activity to inhibit one or more effects of TSP1, including angiostatic effect. The ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2T4B
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM521736
PNG
(US11149066, Compound 11)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC1=O)C(C)C)C(C)C)C(N)=O |r|
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n/an/an/a 0.140n/an/an/an/an/a


TBA

Assay Description
As referred to herein, the TSP1 inhibitory activity refers to the activity to inhibit one or more effects of TSP1, including angiostatic effect. The ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2T4B
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM521737
PNG
(US11149066, Compound 12)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)O)C(C)C)C(C)C)C(N)=O |r|
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n/an/an/a 0.380n/an/an/an/an/a


TBA

Assay Description
As referred to herein, the TSP1 inhibitory activity refers to the activity to inhibit one or more effects of TSP1, including angiostatic effect. The ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2T4B
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM521738
PNG
(US11149066, Compound 13)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC1=O)[C@@H](C)O)C(C)C)C(C)C)C(N)=O |r|
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n/an/an/a 0.0960n/an/an/an/an/a


TBA

Assay Description
As referred to herein, the TSP1 inhibitory activity refers to the activity to inhibit one or more effects of TSP1, including angiostatic effect. The ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2T4B
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM521739
PNG
(US11149066, Compound 24)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC1=O)C(C)C)C(C)C)C(N)=O |r|
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n/an/an/a 0.120n/an/an/an/an/a


TBA

Assay Description
As referred to herein, the TSP1 inhibitory activity refers to the activity to inhibit one or more effects of TSP1, including angiostatic effect. The ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2T4B
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM521740
PNG
(US11149066, Compound 58)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(C)C)C(N)=O)[C@@H](C)CC |r|
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TBA

Assay Description
As referred to herein, the TSP1 inhibitory activity refers to the activity to inhibit one or more effects of TSP1, including angiostatic effect. The ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2T4B
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM521733
PNG
(US11149066, Compound 7)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC1=O)C(C)C)C(C)C)C(N)=O |r|
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TBA

Assay Description
As referred to herein, the TSP1 inhibitory activity refers to the activity to inhibit one or more effects of TSP1, including angiostatic effect. The ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2T4B
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM521732
PNG
(US11149066, Compound 6)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC1=O)C(N)=O)C(C)C |r|
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TBA

Assay Description
As referred to herein, the TSP1 inhibitory activity refers to the activity to inhibit one or more effects of TSP1, including angiostatic effect. The ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2T4B
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM521731
PNG
(US11149066, Compound 5)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC1=O)C(C)C)C(N)=O |r|
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TBA

Assay Description
As referred to herein, the TSP1 inhibitory activity refers to the activity to inhibit one or more effects of TSP1, including angiostatic effect. The ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2T4B
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM521730
PNG
(US11149066, Compound 4)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](CO)NC1=O)C(C)C)C(C)C)C(N)=O |r|
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TBA

Assay Description
As referred to herein, the TSP1 inhibitory activity refers to the activity to inhibit one or more effects of TSP1, including angiostatic effect. The ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2T4B
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM521729
PNG
(US11149066, Compound 3)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC1=O)C(C)C)C(C)C)C(N)=O |r|
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TBA

Assay Description
As referred to herein, the TSP1 inhibitory activity refers to the activity to inhibit one or more effects of TSP1, including angiostatic effect. The ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2T4B
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM521728
PNG
(US11149066, Compound 2)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CSC[C@H](NC1=O)C(N)=O)C(C)C)C(C)C |r|
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TBA

Assay Description
As referred to herein, the TSP1 inhibitory activity refers to the activity to inhibit one or more effects of TSP1, including angiostatic effect. The ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2T4B
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM521727
PNG
(US11149066, Compound 1)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC1=O)C(C)C)C(C)C)C(C)C)C(N)=O |r|
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TBA

Assay Description
As referred to herein, the TSP1 inhibitory activity refers to the activity to inhibit one or more effects of TSP1, including angiostatic effect. The ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2T4B
More data for this
Ligand-Target Pair
Glycoprotein G


(Nipah virus)
BDBM50293787
PNG
((2R,6S)-1-allyl-4-hydroxy-2,6-bis(4-nitrophenyl)-1...)
Show SMILES CCOC(=O)C1[C@@H](N(CC=C)[C@H](C(C(=O)OCC)C1=O)c1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C26H27N3O9/c1-4-15-27-22(16-7-11-18(12-8-16)28(33)34)20(25(31)37-5-2)24(30)21(26(32)38-6-3)23(27)17-9-13-19(14-10-17)29(35)36/h4,7-14,20-23H,1,5-6,15H2,2-3H3/t20?,21?,22-,23-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of Nipah virus glycoprotein G/F-mediated cell-cell fusion expressed in african green monkey Vero cells after 24 hrs relative to untreated ...


J Med Chem 52: 4257-65 (2009)


Article DOI: 10.1021/jm900411s
BindingDB Entry DOI: 10.7270/Q2H1322G
More data for this
Ligand-Target Pair
Glycoprotein G


(Nipah virus)
BDBM50293786
PNG
(CHEMBL551897 | Ethyl 4-[1-cyclopropyl-3-(2,4-dichl...)
Show SMILES CCOC(=O)N1CCN(CC1)c1cc2n(cc(C(=O)NCc3ccc(Cl)cc3Cl)c(=O)c2cc1F)C1CC1
Show InChI InChI=1S/C27H27Cl2FN4O4/c1-2-38-27(37)33-9-7-32(8-10-33)24-13-23-19(12-22(24)30)25(35)20(15-34(23)18-5-6-18)26(36)31-14-16-3-4-17(28)11-21(16)29/h3-4,11-13,15,18H,2,5-10,14H2,1H3,(H,31,36)
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n/an/an/an/a 3.00E+3n/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of Nipah virus glycoprotein G/F-mediated cell-cell fusion expressed in african green monkey Vero cells after 24 hrs relative to untreated ...


J Med Chem 52: 4257-65 (2009)


Article DOI: 10.1021/jm900411s
BindingDB Entry DOI: 10.7270/Q2H1322G
More data for this
Ligand-Target Pair
Glycoprotein G


(Nipah virus)
BDBM50293785
PNG
(CHEMBL562236 | Ethyl 4-[3-(2,4-dichlorobenzylcarba...)
Show SMILES CCOC(=O)N1CCN(CC1)c1cc2n(CC)cc(C(=O)NCc3ccc(Cl)cc3Cl)c(=O)c2cc1F
Show InChI InChI=1S/C26H27Cl2FN4O4/c1-3-31-15-19(25(35)30-14-16-5-6-17(27)11-20(16)28)24(34)18-12-21(29)23(13-22(18)31)32-7-9-33(10-8-32)26(36)37-4-2/h5-6,11-13,15H,3-4,7-10,14H2,1-2H3,(H,30,35)
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n/an/an/an/a 4.00E+3n/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of Nipah virus glycoprotein G/F-mediated cell-cell fusion expressed in african green monkey Vero cells after 24 hrs relative to untreated ...


J Med Chem 52: 4257-65 (2009)


Article DOI: 10.1021/jm900411s
BindingDB Entry DOI: 10.7270/Q2H1322G
More data for this
Ligand-Target Pair
Glycoprotein G


(Nipah virus)
BDBM50293784
PNG
(CHEMBL559961 | Ethyl 1-[3-(2,4-dichlorobenzylcarba...)
Show SMILES CCOC(=O)C1CCN(CC1)c1cc2n(CC)cc(C(=O)NCc3ccc(Cl)cc3Cl)c(=O)c2cc1F
Show InChI InChI=1S/C27H28Cl2FN3O4/c1-3-32-15-20(26(35)31-14-17-5-6-18(28)11-21(17)29)25(34)19-12-22(30)24(13-23(19)32)33-9-7-16(8-10-33)27(36)37-4-2/h5-6,11-13,15-16H,3-4,7-10,14H2,1-2H3,(H,31,35)
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n/an/an/an/a 3.00E+3n/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of Nipah virus glycoprotein G/F-mediated cell-cell fusion expressed in african green monkey Vero cells after 24 hrs relative to untreated ...


J Med Chem 52: 4257-65 (2009)


Article DOI: 10.1021/jm900411s
BindingDB Entry DOI: 10.7270/Q2H1322G
More data for this
Ligand-Target Pair
Glycoprotein G


(Nipah virus)
BDBM50293783
PNG
(7-(4-Carbamoylpiperidin-1-yl)-1-cyclopropyl-N-(2,4...)
Show SMILES NC(=O)C1CCN(CC1)c1cc2n(cc(C(=O)NCc3ccc(Cl)cc3Cl)c(=O)c2cc1F)C1CC1
Show InChI InChI=1S/C26H25Cl2FN4O3/c27-16-2-1-15(20(28)9-16)12-31-26(36)19-13-33(17-3-4-17)22-11-23(21(29)10-18(22)24(19)34)32-7-5-14(6-8-32)25(30)35/h1-2,9-11,13-14,17H,3-8,12H2,(H2,30,35)(H,31,36)
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n/an/an/an/a 1.50E+3n/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of Nipah virus glycoprotein G/F-mediated cell-cell fusion expressed in african green monkey Vero cells after 24 hrs relative to untreated ...


J Med Chem 52: 4257-65 (2009)


Article DOI: 10.1021/jm900411s
BindingDB Entry DOI: 10.7270/Q2H1322G
More data for this
Ligand-Target Pair
Thrombospondin-1


(Homo sapiens)
BDBM521741
PNG
(US11149066, Compound 75)
Show SMILES CCCC[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC1=O)C(C)C)C(N)=O)[C@@H](C)CC |r|
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TBA

Assay Description
As referred to herein, the TSP1 inhibitory activity refers to the activity to inhibit one or more effects of TSP1, including angiostatic effect. The ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2T4B
More data for this
Ligand-Target Pair
Glycoprotein G


(Nipah virus)
BDBM50193260
PNG
(2-benzylbenzo[d]oxazol-5-amine | CHEMBL214087)
Show SMILES Nc1ccc2oc(Cc3ccccc3)nc2c1
Show InChI InChI=1S/C14H12N2O/c15-11-6-7-13-12(9-11)16-14(17-13)8-10-4-2-1-3-5-10/h1-7,9H,8,15H2
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n/an/an/an/a>8.00E+3n/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of Nipah virus glycoprotein G/F-mediated cell-cell fusion expressed in african green monkey Vero cells after 24 hrs relative to untreated ...


J Med Chem 52: 4257-65 (2009)


Article DOI: 10.1021/jm900411s
BindingDB Entry DOI: 10.7270/Q2H1322G
More data for this
Ligand-Target Pair
Glycoprotein G


(Nipah virus)
BDBM50293782
PNG
(CHEMBL551697 | N-(4-Chlorobenzyl)-1-ethyl-4-oxo-7-...)
Show SMILES CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C20H16ClF3N2O2/c1-2-26-11-16(19(28)25-10-12-3-6-14(21)7-4-12)18(27)15-8-5-13(9-17(15)26)20(22,23)24/h3-9,11H,2,10H2,1H3,(H,25,28)
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University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of Nipah virus glycoprotein G/F-mediated cell-cell fusion expressed in african green monkey Vero cells after 24 hrs relative to untreated ...


J Med Chem 52: 4257-65 (2009)


Article DOI: 10.1021/jm900411s
BindingDB Entry DOI: 10.7270/Q2H1322G
More data for this
Ligand-Target Pair