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BDBM96658 3-[4-(2-Hydroxy-ethylamino)-quinazolin-2-ylamino]-phenol::3-[[4-(2-hydroxyethylamino)-2-quinazolinyl]amino]phenol;hydrochloride::3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol;hydrochloride::MLS000123992::SMR000124438::cid_16187033

SMILES: OCCNc1nc(Nc2cccc(O)c2)nc2ccccc12

InChI Key: InChIKey=WSZFSPUZDXLEOP-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

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 = 96658   
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
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96658
PNG
(3-[4-(2-Hydroxy-ethylamino)-quinazolin-2-ylamino]-...)
Show SMILES OCCNc1nc(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C16H16N4O2/c21-9-8-17-15-13-6-1-2-7-14(13)19-16(20-15)18-11-4-3-5-12(22)10-11/h1-7,10,21-22H,8-9H2,(H2,17,18,19,20)
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UniProtKB/TrEMBL

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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96658
PNG
(3-[4-(2-Hydroxy-ethylamino)-quinazolin-2-ylamino]-...)
Show SMILES OCCNc1nc(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C16H16N4O2/c21-9-8-17-15-13-6-1-2-7-14(13)19-16(20-15)18-11-4-3-5-12(22)10-11/h1-7,10,21-22H,8-9H2,(H2,17,18,19,20)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2QZ28KG
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96658
PNG
(3-[4-(2-Hydroxy-ethylamino)-quinazolin-2-ylamino]-...)
Show SMILES OCCNc1nc(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C16H16N4O2/c21-9-8-17-15-13-6-1-2-7-14(13)19-16(20-15)18-11-4-3-5-12(22)10-11/h1-7,10,21-22H,8-9H2,(H2,17,18,19,20)
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KEGG

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PCBioAssay
n/an/an/an/a 78.6n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24748HT
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96658
PNG
(3-[4-(2-Hydroxy-ethylamino)-quinazolin-2-ylamino]-...)
Show SMILES OCCNc1nc(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C16H16N4O2/c21-9-8-17-15-13-6-1-2-7-14(13)19-16(20-15)18-11-4-3-5-12(22)10-11/h1-7,10,21-22H,8-9H2,(H2,17,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 261n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q280517J
More data for this
Ligand-Target Pair