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BDBM82434 2-Butyl-6-(dimethylamino)-3-[[2-(cyclopropylcarbonylmethylsulfonyl)biphenyl-4'-yl]methyl]quinazolin-4(3H)-one::L-161,865::L-161865

SMILES: [#6]-[#6]-[#6]-[#6]-c1nc2ccc(cc2c(=O)n1-[#6]-c1ccc(cc1)-c1ccccc1[S;v6](=O)(=O)[#6]-[#6](=O)-[#6]-1-[#6]-[#6]-1)-[#7](-[#6])-[#6]

InChI Key: InChIKey=GXXPHOGLZMTWRD-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 82434   
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)
BDBM82434
PNG
(2-Butyl-6-(dimethylamino)-3-[[2-(cyclopropylcarbon...)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1[S](=O)(=O)CC(=O)C1CC1)N(C)C
Show InChI InChI=1S/C32H35N3O4S/c1-4-5-10-31-33-28-18-17-25(34(2)3)19-27(28)32(37)35(31)20-22-11-13-23(14-12-22)26-8-6-7-9-30(26)40(38,39)21-29(36)24-15-16-24/h6-9,11-14,17-19,24H,4-5,10,15-16,20-21H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.910n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)


BindingDB Entry DOI: 10.7270/Q2FB51GP
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82434
PNG
(2-Butyl-6-(dimethylamino)-3-[[2-(cyclopropylcarbon...)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1[S](=O)(=O)CC(=O)C1CC1)N(C)C
Show InChI InChI=1S/C32H35N3O4S/c1-4-5-10-31-33-28-18-17-25(34(2)3)19-27(28)32(37)35(31)20-22-11-13-23(14-12-22)26-8-6-7-9-30(26)40(38,39)21-29(36)24-15-16-24/h6-9,11-14,17-19,24H,4-5,10,15-16,20-21H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
437n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)


BindingDB Entry DOI: 10.7270/Q2FB51GP
More data for this
Ligand-Target Pair