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BDBM25807 4,4 -Dihydroxybenzophenone::4-[(4-hydroxyphenyl)carbonyl]phenol::Bis(p-hydroxy)benzophenone::Compound 0627-0373 (DHBP)::US9688816, N

SMILES: Oc1ccc(cc1)C(=O)c1ccc(O)cc1

InChI Key: InChIKey=RXNYJUSEXLAVNQ-UHFFFAOYSA-N

Data: 3 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 25807   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cytochrome P450 51(CYP51)


(Mycobacterium tuberculosis)
BDBM25807
PNG
(4,4 -Dihydroxybenzophenone | 4-[(4-hydroxyphenyl)c...)
Show SMILES Oc1ccc(cc1)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
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DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
MMDB
PDB
Article
PubMed
n/an/an/a 2.80E+4n/an/an/a7.537



University of California at San Francisco



Assay Description
The assay was developed based on the optical spectral property of P450 enzyme to elicit both type I and type II spectral changes (350 nm through 450 ...


Antimicrob Agents Chemother 51: 3915-23 (2007)


Article DOI: 10.1128/AAC.00311-07
BindingDB Entry DOI: 10.7270/Q20V8B3R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM25807
PNG
(4,4 -Dihydroxybenzophenone | 4-[(4-hydroxyphenyl)c...)
Show SMILES Oc1ccc(cc1)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

US Patent
n/an/a 3.20E+4n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


US Patent US9688816 (2017)


BindingDB Entry DOI: 10.7270/Q2WD3XR0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM25807
PNG
(4,4 -Dihydroxybenzophenone | 4-[(4-hydroxyphenyl)c...)
Show SMILES Oc1ccc(cc1)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

US Patent
n/an/a 3.10E+4n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


US Patent US9688816 (2017)


BindingDB Entry DOI: 10.7270/Q2WD3XR0
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM25807
PNG
(4,4 -Dihydroxybenzophenone | 4-[(4-hydroxyphenyl)c...)
Show SMILES Oc1ccc(cc1)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.45E+5n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)


J Med Chem 48: 5666-74 (2005)


Article DOI: 10.1021/jm050403f
BindingDB Entry DOI: 10.7270/Q2TM7CBZ
More data for this
Ligand-Target Pair