BindingDB logo
myBDB logout

PubMed code 23145909

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
Isocitrate lyase


(Candida albicans)		BDBM50402853
PNG
(CHEMBL2204152)
Show SMILES Oc1ccc(cc1Br)C1=C(C(=O)c2cc(Br)c(O)c(Br)c2)C(=O)O\C1=C/c1cc(Br)c(O)c(Br)c1 |c:9|
Show InChI InChI=1S/C24H11Br5O6/c25-12-6-10(1-2-17(12)30)19-18(5-9-3-13(26)22(32)14(27)4-9)35-24(34)20(19)21(31)11-7-15(28)23(33)16(29)8-11/h1-8,30,32-33H/b18-5-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotmeric analysis

J Nat Prod 75: 2055-61 (2012)


Article DOI: 10.1021/np3005562
BindingDB Entry DOI: 10.7270/Q2416Z76
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)		BDBM50402850
PNG
(CHEMBL2204157)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]1=[#6](-[#6](=O)-[#8]\[#6]-1=[#6](/c1cc(Br)c(-[#8])c(Br)c1)-c1cc(Br)c(-[#8])c(Br)c1)-c1cc(Br)c(-[#8])c(Br)c1 |t:4|
Show InChI InChI=1S/C25H12Br6O7/c1-37-24(35)19-18(10-6-15(30)22(34)16(31)7-10)25(36)38-23(19)17(8-2-11(26)20(32)12(27)3-8)9-4-13(28)21(33)14(29)5-9/h2-7,32-34H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotmeric analysis

J Nat Prod 75: 2055-61 (2012)


Article DOI: 10.1021/np3005562
BindingDB Entry DOI: 10.7270/Q2416Z76
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)		BDBM50402849
PNG
(CHEMBL2204158)
Show SMILES COC(=O)C(C(=O)c1cc(Br)c(O)c(Br)c1)=C(C(=O)OC)c1cc(Br)c(O)c(Br)c1 |w:16.17|
Show InChI InChI=1S/C19H12Br4O7/c1-29-18(27)13(7-3-9(20)16(25)10(21)4-7)14(19(28)30-2)15(24)8-5-11(22)17(26)12(23)6-8/h3-6,25-26H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.63E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotmeric analysis

J Nat Prod 75: 2055-61 (2012)


Article DOI: 10.1021/np3005562
BindingDB Entry DOI: 10.7270/Q2416Z76
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)		BDBM50402848
PNG
(CHEMBL2204159)
Show SMILES COC(=O)C(C(=O)c1cc(Br)c(O)c(Br)c1)=C(C(=O)OC)c1ccc(O)c(Br)c1 |w:16.17|
Show InChI InChI=1S/C19H13Br3O7/c1-28-18(26)14(8-3-4-13(23)10(20)5-8)15(19(27)29-2)16(24)9-6-11(21)17(25)12(22)7-9/h3-7,23,25H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.76E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotmeric analysis

J Nat Prod 75: 2055-61 (2012)


Article DOI: 10.1021/np3005562
BindingDB Entry DOI: 10.7270/Q2416Z76
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)		BDBM50402852
PNG
(CHEMBL2204155)
Show SMILES COc1c(Br)cc(cc1Br)[C@H](O)C1=C(\C(OC1=O)=C\c1ccc(O)c(Br)c1)c1ccc(O)c(Br)c1 |r,t:13|
Show InChI InChI=1S/C25H16Br4O6/c1-34-24-16(28)9-13(10-17(24)29)23(32)22-21(12-3-5-19(31)15(27)8-12)20(35-25(22)33)7-11-2-4-18(30)14(26)6-11/h2-10,23,30-32H,1H3/b20-7-/t23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.98E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotmeric analysis

J Nat Prod 75: 2055-61 (2012)


Article DOI: 10.1021/np3005562
BindingDB Entry DOI: 10.7270/Q2416Z76
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)		BDBM50274515
PNG
(3-nitropropanoic acid | 3-nitropropionic acid | Bo...)
Show SMILES [O-]C(=O)CC[N+]([O-])=O
Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 5.39E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotmeric analysis

J Nat Prod 75: 2055-61 (2012)


Article DOI: 10.1021/np3005562
BindingDB Entry DOI: 10.7270/Q2416Z76
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)		BDBM50402851
PNG
(CHEMBL2204156)
Show SMILES COc1ccc(C=C2OC(=O)C([C@@H](O)c3cc(Br)c(OC)c(Br)c3)=C2c2cc(Br)c(O)c(Br)c2)cc1 |r,w:6.5,c:24|
Show InChI InChI=1S/C26H18Br4O6/c1-34-15-5-3-12(4-6-15)7-20-21(13-8-16(27)24(32)17(28)9-13)22(26(33)36-20)23(31)14-10-18(29)25(35-2)19(30)11-14/h3-11,23,31-32H,1-2H3/t23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotmeric analysis

J Nat Prod 75: 2055-61 (2012)


Article DOI: 10.1021/np3005562
BindingDB Entry DOI: 10.7270/Q2416Z76
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%