BindingDB logo
myBDB logout

PubMed code 21916432

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
Interleukin-1 beta


(Homo sapiens (Human))		BDBM10355
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O |r|
Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Induction of IL-1 beta production in LPS-induced human THP-1 cells by ELISA

J Nat Prod 74: 2273-7 (2011)


Article DOI: 10.1021/np2003066
BindingDB Entry DOI: 10.7270/Q2GQ6Z4V
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM50355789
PNG
(CHEMBL1911627)
Show SMILES COC(=O)[C@@]12C(=C)[C@@](C)(C[C@H]3[C@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@]13C)C(=O)[C@](C)(O)C2=O |r,THB:6:5:10.23.9:25.30.27|
Show InChI InChI=1S/C26H38O6/c1-14-23(5)13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-17,27,31H,1,9-13H2,2-8H3/t15-,16+,17-,22-,23-,24+,25+,26+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Induction of IL-1 beta production in LPS-induced human THP-1 cells by ELISA

J Nat Prod 74: 2273-7 (2011)


Article DOI: 10.1021/np2003066
BindingDB Entry DOI: 10.7270/Q2GQ6Z4V
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM50355790
PNG
(CHEMBL1911628)
Show SMILES COC(=O)[C@@]12C(=C)[C@@](C)(C[C@H]3[C@]4(C)CCC(=O)OC(C)(C)C4=CC[C@]13C)C(=O)[C@](C)(O)C2=O |r,c:22,THB:6:5:10.24.9:26.31.28|
Show InChI InChI=1S/C26H34O7/c1-14-23(5)13-16-22(4)11-10-17(27)33-21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h9,16,31H,1,10-13H2,2-8H3/t16-,22+,23+,24-,25-,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Induction of IL-1 beta production in LPS-induced human THP-1 cells by ELISA

J Nat Prod 74: 2273-7 (2011)


Article DOI: 10.1021/np2003066
BindingDB Entry DOI: 10.7270/Q2GQ6Z4V
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM50355787
PNG
(BERKELEYDIONE)
Show SMILES COC(=O)[C@@]12C(=C)[C@@](C)(C[C@H]3C(C)=C4CC(=O)OC(C)(C)C4=CC[C@]13C)C(=O)[C@](C)(O)C2=O |c:22,t:12,THB:6:5:10.24.9:26.31.28|
Show InChI InChI=1S/C26H32O7/c1-13-15-11-18(27)33-22(3,4)16(15)9-10-24(6)17(13)12-23(5)14(2)26(24,21(30)32-8)20(29)25(7,31)19(23)28/h9,17,31H,2,10-12H2,1,3-8H3/t17-,23+,24-,25-,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Induction of IL-1 beta production in LPS-induced human THP-1 cells by ELISA

J Nat Prod 74: 2273-7 (2011)


Article DOI: 10.1021/np2003066
BindingDB Entry DOI: 10.7270/Q2GQ6Z4V
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM50355788
PNG
(CHEMBL1911626)
Show SMILES COC(=O)[C@@]12C(=C)[C@@](C)(C[C@H]3[C@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]13C)C(=O)[C@](C)(O)C2=O |r,THB:6:5:10.23.9:25.30.27|
Show InChI InChI=1S/C26H36O6/c1-14-23(5)13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-16,31H,1,9-13H2,2-8H3/t15-,16+,22-,23-,24+,25+,26+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.55E+4n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Induction of IL-1 beta production in LPS-induced human THP-1 cells by ELISA

J Nat Prod 74: 2273-7 (2011)


Article DOI: 10.1021/np2003066
BindingDB Entry DOI: 10.7270/Q2GQ6Z4V
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM50355791
PNG
(CHEMBL1911629)
Show SMILES COC(=O)[C@@]12C(=C)[C@@](C)(C[C@H]3[C@]4(C)CCC(=O)OC(C)(C)[C@@H]4CC[C@]13C)C(=O)[C@](C)(O)C2=O |r,THB:6:5:10.24.9:26.31.28|
Show InChI InChI=1S/C26H36O7/c1-14-23(5)13-16-22(4)11-10-17(27)33-21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-16,31H,1,9-13H2,2-8H3/t15-,16-,22+,23+,24-,25-,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.43E+4n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Induction of IL-1 beta production in LPS-induced human THP-1 cells by ELISA

J Nat Prod 74: 2273-7 (2011)


Article DOI: 10.1021/np2003066
BindingDB Entry DOI: 10.7270/Q2GQ6Z4V
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM50355792
PNG
(CHEMBL1911630)
Show SMILES COC(=O)[C@@]12C(=C)[C@@](C)(C[C@H]3[C@](C)(CCC(O)=O)C(=CC[C@]13C)C(C)=C)C(=O)[C@](C)(O)C2=O |r,c:18,THB:6:5:10.21.9:26.31.28|
Show InChI InChI=1S/C26H34O7/c1-14(2)16-9-12-24(6)17(22(16,4)11-10-18(27)28)13-23(5)15(3)26(24,21(31)33-8)20(30)25(7,32)19(23)29/h9,17,32H,1,3,10-13H2,2,4-8H3,(H,27,28)/t17-,22+,23+,24-,25-,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.78E+4n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Induction of IL-1 beta production in LPS-induced human THP-1 cells by ELISA

J Nat Prod 74: 2273-7 (2011)


Article DOI: 10.1021/np2003066
BindingDB Entry DOI: 10.7270/Q2GQ6Z4V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%