Found 20 hits of ic50 for UniProtKB: P10613 Target/Host
(Institution) | Ligand | Target/Host
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 | pH | Temp
°C |
|---|
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM50593137
(CHEMBL5187700)Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NC(Cn1cncn1)C(=O)c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00878
BindingDB Entry DOI: 10.7270/Q2NV9P7Z |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
UniProtKB/SwissProt
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01451
BindingDB Entry DOI: 10.7270/Q2RN3CZ7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
UniProtKB/SwissProt
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
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PDB
UniChem
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| Article
PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Candida albicans ATCC SC5314 CYP51 incubated for 30 mins by spectrophotometric method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112991
BindingDB Entry DOI: 10.7270/Q2X63RP8 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
UniProtKB/SwissProt
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
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| Article
PubMed
| n/a | n/a | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP51 in Candida albicans ATCC SC5314 measured after 30 mins by HPLC analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113972
BindingDB Entry DOI: 10.7270/Q2PG1WMV |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
UniProtKB/SwissProt
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| Purchase
CHEMBL
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MCE
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PC cid
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PDB
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| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00878
BindingDB Entry DOI: 10.7270/Q2NV9P7Z |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
UniProtKB/SwissProt
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| Purchase
CHEMBL
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MCE
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PC cid
PC sid
PDB
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Patents
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| Article
PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113950
BindingDB Entry DOI: 10.7270/Q21R6VKR |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM50593136
(CHEMBL5195879)Show SMILES CC(C)NC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@@H](C)c1cccc(c1)C(=O)c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00878
BindingDB Entry DOI: 10.7270/Q2NV9P7Z |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM50607516
(CHEMBL5219227)Show SMILES C[C@H](C(=O)N(C)CC(O)(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1cccc(c1)C(=O)c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01451
BindingDB Entry DOI: 10.7270/Q2RN3CZ7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM50607515
(CHEMBL5219013)Show SMILES C[C@H](C(=O)N(C)CC(O)(Cn1ccnc1)c1ccc(Cl)cc1)c1ccc(c(F)c1)-c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01451
BindingDB Entry DOI: 10.7270/Q2RN3CZ7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM50593135
(CHEMBL5197095)Show SMILES CC(C)OC(=O)[C@@H](Cn1cncn1)NC(=O)[C@@H](C)c1cccc(c1)C(=O)c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00878
BindingDB Entry DOI: 10.7270/Q2NV9P7Z |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM50582909
(CHEMBL5088292)Show SMILES O=C(NC(Cn1cncn1)c1ccccc1)\C=C\c1cccc2ccccc12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 209 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP51 in Candida albicans ATCC SC5314 measured after 30 mins by HPLC analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113972
BindingDB Entry DOI: 10.7270/Q2PG1WMV |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM50599474
(CHEMBL5206822)Show SMILES CC(C)[C@H](NC(=O)c1cccc2OCCOc12)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113950
BindingDB Entry DOI: 10.7270/Q21R6VKR |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM213825
(VNI)Show SMILES Clc1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(Cl)c1 |r| Show InChI InChI=1S/C26H19Cl2N5O2/c27-20-10-11-21(22(28)14-20)23(15-33-13-12-29-16-33)30-24(34)17-6-8-19(9-7-17)26-32-31-25(35-26)18-4-2-1-3-5-18/h1-14,16,23H,15H2,(H,30,34)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans CYP51 assessed as reduction in [3-3H]lanosterol 14alpha-demethylation preincubated for 60 secs followed by NADPH addit... |
J Med Chem 61: 5679-5691 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00641
BindingDB Entry DOI: 10.7270/Q26H4KX9 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM50582910
(CHEMBL5094280)Show SMILES O=C(NC(Cn1cncn1)C(=O)c1ccccc1)\C=C\c1ccc2ccccc2c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 323 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP51 in Candida albicans ATCC SC5314 measured after 30 mins by HPLC analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113972
BindingDB Entry DOI: 10.7270/Q2PG1WMV |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM50607514
(CHEMBL5220891)Show SMILES C[C@H](C(=O)OC(Cn1ccnc1)c1ccc(F)cc1)c1ccc(c(F)c1)-c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01451
BindingDB Entry DOI: 10.7270/Q2RN3CZ7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM50599473
(CHEMBL5180750)Show SMILES O=C(N[C@H](Cc1ccccc1)Cn1cncn1)c1ccc2OCCOc2c1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 356 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113950
BindingDB Entry DOI: 10.7270/Q21R6VKR |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM50562437
(CHEMBL4757634)Show SMILES CC(NC(=O)c1cccc2ccccc12)C(=O)NC(Cn1ccnc1)C(=O)c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 537 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Candida albicans ATCC SC5314 CYP51 incubated for 30 mins by spectrophotometric method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112991
BindingDB Entry DOI: 10.7270/Q2X63RP8 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM50562436
(CHEMBL4764357)Show SMILES O=C(NCc1ccncc1)C(Cn1ccnc1)NC(=O)c1ccc2ccccc2c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Candida albicans ATCC SC5314 CYP51 incubated for 30 mins by spectrophotometric method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112991
BindingDB Entry DOI: 10.7270/Q2X63RP8 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM50590139
(CHEMBL5196919) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00196a
BindingDB Entry DOI: 10.7270/Q2K64P16 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
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PC cid
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PDB
UniChem
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Similars
| Article
PubMed
| n/a | n/a | 2.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00196a
BindingDB Entry DOI: 10.7270/Q2K64P16 |
More data for this
Ligand-Target Pair | |
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