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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Thrombospondin-1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
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
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
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
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
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
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
PDB

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UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
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
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
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
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
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
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
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
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
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
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
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
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
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
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
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
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
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
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
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
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
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
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
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
PDB

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UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
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
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
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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
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
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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
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
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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
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
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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
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
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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
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
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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/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
More data for this
Ligand-Target Pair