BindingDB logo
myBDB logout

BDBM50283305 3'-Fluoro-4'-[6-(3-isopropyl-ureido)-4-oxo-2-propyl-4H-quinazolin-3-ylmethyl]-biphenyl-2-sulfonic acid 4-ethyl-2-fluoro-benzoylamide::CHEMBL305647

SMILES: CCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccc(CC)cc1F

InChI Key: InChIKey=YMJWWFSMUSMMFX-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 50283305   
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
Angiotensin II AT2


(RAT)
BDBM50283305
PNG
(3'-Fluoro-4'-[6-(3-isopropyl-ureido)-4-oxo-2-propy...)
Show SMILES CCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccc(CC)cc1F
Show InChI InChI=1S/C37H37F2N5O5S/c1-5-9-34-42-32-17-15-26(41-37(47)40-22(3)4)20-29(32)36(46)44(34)21-25-14-13-24(19-30(25)38)27-10-7-8-11-33(27)50(48,49)43-35(45)28-16-12-23(6-2)18-31(28)39/h7-8,10-20,22H,5-6,9,21H2,1-4H3,(H,43,45)(H2,40,41,47)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration of the compound against AT2 receptor of rat adrenal membrane


Bioorg Med Chem Lett 4: 2337-2342 (1994)


Article DOI: 10.1016/0960-894X(94)85036-4
BindingDB Entry DOI: 10.7270/Q2X066Z9
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50283305
PNG
(3'-Fluoro-4'-[6-(3-isopropyl-ureido)-4-oxo-2-propy...)
Show SMILES CCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccc(CC)cc1F
Show InChI InChI=1S/C37H37F2N5O5S/c1-5-9-34-42-32-17-15-26(41-37(47)40-22(3)4)20-29(32)36(46)44(34)21-25-14-13-24(19-30(25)38)27-10-7-8-11-33(27)50(48,49)43-35(45)28-16-12-23(6-2)18-31(28)39/h7-8,10-20,22H,5-6,9,21H2,1-4H3,(H,43,45)(H2,40,41,47)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 4.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration of the compound against AT2 receptor of human adrenal membrane


Bioorg Med Chem Lett 4: 2337-2342 (1994)


Article DOI: 10.1016/0960-894X(94)85036-4
BindingDB Entry DOI: 10.7270/Q2X066Z9
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50283305
PNG
(3'-Fluoro-4'-[6-(3-isopropyl-ureido)-4-oxo-2-propy...)
Show SMILES CCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccc(CC)cc1F
Show InChI InChI=1S/C37H37F2N5O5S/c1-5-9-34-42-32-17-15-26(41-37(47)40-22(3)4)20-29(32)36(46)44(34)21-25-14-13-24(19-30(25)38)27-10-7-8-11-33(27)50(48,49)43-35(45)28-16-12-23(6-2)18-31(28)39/h7-8,10-20,22H,5-6,9,21H2,1-4H3,(H,43,45)(H2,40,41,47)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration against Angiotensin II, type 2 of rat midbrain membrane


Bioorg Med Chem Lett 4: 2337-2342 (1994)


Article DOI: 10.1016/0960-894X(94)85036-4
BindingDB Entry DOI: 10.7270/Q2X066Z9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50283305
PNG
(3'-Fluoro-4'-[6-(3-isopropyl-ureido)-4-oxo-2-propy...)
Show SMILES CCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccc(CC)cc1F
Show InChI InChI=1S/C37H37F2N5O5S/c1-5-9-34-42-32-17-15-26(41-37(47)40-22(3)4)20-29(32)36(46)44(34)21-25-14-13-24(19-30(25)38)27-10-7-8-11-33(27)50(48,49)43-35(45)28-16-12-23(6-2)18-31(28)39/h7-8,10-20,22H,5-6,9,21H2,1-4H3,(H,43,45)(H2,40,41,47)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration of the compound against Angiotensin II receptor, type 1 of rabbit aorta membrane


Bioorg Med Chem Lett 4: 2337-2342 (1994)


Article DOI: 10.1016/0960-894X(94)85036-4
BindingDB Entry DOI: 10.7270/Q2X066Z9
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50283305
PNG
(3'-Fluoro-4'-[6-(3-isopropyl-ureido)-4-oxo-2-propy...)
Show SMILES CCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccc(CC)cc1F
Show InChI InChI=1S/C37H37F2N5O5S/c1-5-9-34-42-32-17-15-26(41-37(47)40-22(3)4)20-29(32)36(46)44(34)21-25-14-13-24(19-30(25)38)27-10-7-8-11-33(27)50(48,49)43-35(45)28-16-12-23(6-2)18-31(28)39/h7-8,10-20,22H,5-6,9,21H2,1-4H3,(H,43,45)(H2,40,41,47)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration against Angiotensin II receptor, type 1 of rat adrenal membrane


Bioorg Med Chem Lett 4: 2337-2342 (1994)


Article DOI: 10.1016/0960-894X(94)85036-4
BindingDB Entry DOI: 10.7270/Q2X066Z9
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50283305
PNG
(3'-Fluoro-4'-[6-(3-isopropyl-ureido)-4-oxo-2-propy...)
Show SMILES CCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccc(CC)cc1F
Show InChI InChI=1S/C37H37F2N5O5S/c1-5-9-34-42-32-17-15-26(41-37(47)40-22(3)4)20-29(32)36(46)44(34)21-25-14-13-24(19-30(25)38)27-10-7-8-11-33(27)50(48,49)43-35(45)28-16-12-23(6-2)18-31(28)39/h7-8,10-20,22H,5-6,9,21H2,1-4H3,(H,43,45)(H2,40,41,47)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.840n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration of the compound against Angiotensin II receptor, type 1 of human adrenal membrane


Bioorg Med Chem Lett 4: 2337-2342 (1994)


Article DOI: 10.1016/0960-894X(94)85036-4
BindingDB Entry DOI: 10.7270/Q2X066Z9
More data for this
Ligand-Target Pair