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Compile Data Set for Download or QSAR

Found 11 hits of ic50 data for polymerid = 50006245   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Candidapepsin-2


(Candida albicans)
BDBM50402357
PNG
(CHEMBL589301)
Show SMILES O=C([C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2)N1CCCCC1
Show InChI InChI=1S/C18H22N2O4/c21-17(19-9-5-2-6-10-19)15-16-18(22)20(12-14(23-15)24-16)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-12H2/t14-,15-,16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Candidapepsin-2


(Candida albicans)
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Candidapepsin-2


(Candida albicans)
BDBM50402356
PNG
(CHEMBL2206670)
Show SMILES CC(C)C[C@@H](CO)NC(=O)C1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2
Show InChI InChI=1S/C19H26N2O5/c1-12(2)8-14(11-22)20-18(23)16-17-19(24)21(10-15(25-16)26-17)9-13-6-4-3-5-7-13/h3-7,12,14-17,22H,8-11H2,1-2H3,(H,20,23)/t14-,15+,16?,17+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 550n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Candidapepsin-2


(Candida albicans)
BDBM50402349
PNG
(CHEMBL2206677)
Show SMILES COC(=O)[C@@H](CC(C)C)N1C[C@H]2O[C@@H]([C@H](O2)C1=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H28N2O6/c1-11(2)9-12(18(23)24-3)20-10-13-25-14(15(26-13)17(20)22)16(21)19-7-5-4-6-8-19/h11-15H,4-10H2,1-3H3/t12-,13+,14+,15+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 740n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Candidapepsin-2


(Candida albicans)
BDBM50402350
PNG
(CHEMBL2206676)
Show SMILES COC(=O)[C@@H](CC(C)C)N1C[C@@H]2O[C@H]([C@@H](O2)C1=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H28N2O6/c1-11(2)9-12(18(23)24-3)20-10-13-25-14(15(26-13)17(20)22)16(21)19-7-5-4-6-8-19/h11-15H,4-10H2,1-3H3/t12-,13-,14-,15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 890n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Candidapepsin-2


(Candida albicans)
BDBM50402352
PNG
(CHEMBL2206674)
Show SMILES COC(=O)[C@H](CC(C)C)N1C[C@@H]2O[C@H]([C@@H](O2)C1=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H28N2O6/c1-11(2)9-12(18(23)24-3)20-10-13-25-14(15(26-13)17(20)22)16(21)19-7-5-4-6-8-19/h11-15H,4-10H2,1-3H3/t12-,13+,14+,15+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Candidapepsin-2


(Candida albicans)
BDBM50402358
PNG
(CHEMBL2206669)
Show SMILES O=C([C@H]1O[C@@H]2CN(Cc3ccccc3)C(=O)[C@H]1O2)N1CCCCC1
Show InChI InChI=1S/C18H22N2O4/c21-17(19-9-5-2-6-10-19)15-16-18(22)20(12-14(23-15)24-16)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-12H2/t14-,15-,16-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 980n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Candidapepsin-2


(Candida albicans)
BDBM50402355
PNG
(CHEMBL2206671)
Show SMILES CC(C)C[C@@H](CO)NC(=O)C1O[C@@H]2CN(Cc3ccccc3)C(=O)[C@H]1O2
Show InChI InChI=1S/C19H26N2O5/c1-12(2)8-14(11-22)20-18(23)16-17-19(24)21(10-15(25-16)26-17)9-13-6-4-3-5-7-13/h3-7,12,14-17,22H,8-11H2,1-2H3,(H,20,23)/t14-,15-,16?,17-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Candidapepsin-2


(Candida albicans)
BDBM50402354
PNG
(CHEMBL2206672)
Show SMILES CC(C)C[C@H](CO)NC(=O)C1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2
Show InChI InChI=1S/C19H26N2O5/c1-12(2)8-14(11-22)20-18(23)16-17-19(24)21(10-15(25-16)26-17)9-13-6-4-3-5-7-13/h3-7,12,14-17,22H,8-11H2,1-2H3,(H,20,23)/t14-,15-,16?,17-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Candidapepsin-2


(Candida albicans)
BDBM50402351
PNG
(CHEMBL2206675)
Show SMILES COC(=O)[C@H](CC(C)C)N1C[C@H]2O[C@@H]([C@H](O2)C1=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H28N2O6/c1-11(2)9-12(18(23)24-3)20-10-13-25-14(15(26-13)17(20)22)16(21)19-7-5-4-6-8-19/h11-15H,4-10H2,1-3H3/t12-,13-,14-,15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Candidapepsin-2


(Candida albicans)
BDBM50402353
PNG
(CHEMBL2206673)
Show SMILES CC(C)C[C@H](CO)NC(=O)C1O[C@@H]2CN(Cc3ccccc3)C(=O)[C@H]1O2
Show InChI InChI=1S/C19H26N2O5/c1-12(2)8-14(11-22)20-18(23)16-17-19(24)21(10-15(25-16)26-17)9-13-6-4-3-5-7-13/h3-7,12,14-17,22H,8-11H2,1-2H3,(H,20,23)/t14-,15+,16?,17+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair