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Compile Data Set for Download or QSAR

Found 10 hits of affinity data for UniProtKB/TrEMBL: O15528    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
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
Cytochrome P450 27B1


(Homo sapiens (Human))
Ketoconazole
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
MMDB
PC cid
PC sid
PDB
ZINC 0

Patents


Similars

AffyNet 
Article
PubMed
53.0n/an/an/an/an/an/an/an/a



University of Wisconsin



Assay Description
Inhibition assay using CYP24A1 and CYP27B1.


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 27B1


(Homo sapiens (Human))
AB47
PNG
Show SMILES C[C@@H](COC(=O)CBr)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C
UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
ZINC 0
AffyNet 
Article
PubMed
68.0n/an/an/an/an/an/an/an/a



University of Wisconsin



Assay Description
Inhibition assay using CYP24A1 and CYP27B1.


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 27B1


(Homo sapiens (Human))
VIMI
PNG
Show SMILES C[C@@H](Cn1ccnc1)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)C(=C)[C@H](O)C1
UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
90.0n/an/an/an/an/an/an/an/a



University of Wisconsin



Assay Description
Inhibition assay using CYP24A1 and CYP27B1.


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 27B1


(Homo sapiens (Human))
24F2-1,25(OH)D3
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
MMDB
PC cid
PC sid
PDB
ZINC 0

Patents


Similars

AffyNet 
Article
PubMed
92.0n/an/an/an/an/an/an/an/a



University of Wisconsin



Assay Description
Inhibition assay using CYP24A1 and CYP27B1.


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 27B1


(Homo sapiens (Human))
TS17
PNG
Show SMILES C[C@@H](CCCOS(=O)(=O)c1ccc(C)cc1)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C
UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
ZINC 0
AffyNet 
Article
PubMed
1520.0n/an/an/an/an/an/an/an/a



University of Wisconsin



Assay Description
Inhibition assay using CYP24A1 and CYP27B1.


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 27B1


(Homo sapiens (Human))
24COOH-25(OH)D3
PNG
Show SMILES C[C@@H](CCC(O)=O)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C
UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
1700.0n/an/an/an/an/an/an/an/a



University of Wisconsin



Assay Description
Inhibition assay using CYP24A1 and CYP27B1.


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 27B1


(Homo sapiens (Human))
CPA1
PNG
Show SMILES C[C@@H](CCCNC1CC1)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)C(=C)[C@H](O)C1
UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
ZINC 0
AffyNet 
Article
PubMed
3340.0n/an/an/an/an/an/an/an/a



University of Wisconsin



Assay Description
Inhibition assay using CYP24A1 and CYP27B1.


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 27B1


(Homo sapiens (Human))
CHEMBL2093101
PNG
Show SMILES C[C@H](CC[S@+]([O-])(=N)c1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 554.0n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human CYP27B hydroxylase expressed in SW900 cells


Citation and Details
More data for this
Ligand-Target Pair
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial


(Homo sapiens)
CHEMBL541423
PNG
(MK-24 | MK-24(S)-S(O)(NH)Ph)
Show SMILES C[C@H](CC[S+]([O-])(=N)c1ccccc1)C1=CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 554.0n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of CYP27B1


Citation and Details
More data for this
Ligand-Target Pair
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial


(Homo sapiens)
CHEMBL253613
PNG
(4'-chloro-biphenyl-4-carboxylic acid (2-imidazol-1...)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NCC(c1ccccc1)n1ccnc1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 616.0n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of CYP27B1 in human keratinocytes


Citation and Details
More data for this
Ligand-Target Pair