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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 439.5
BDBM614786

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
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
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM614786
PNG
(US20230271931, Example 144 | US20230271931, Exampl...)
Show SMILES CC1CCC(CC1)C1(CC1)C(=O)Nc1cc(F)c(-c2cnn(c2)C2CCC2)c(c1)C(O)=O |(9.75,1.38,;8.41,.61,;8.41,-.93,;7.08,-1.7,;5.75,-.93,;5.75,.61,;7.08,1.38,;4.41,-1.7,;3.64,-3.03,;5.18,-3.03,;3.08,-.93,;3.08,.61,;1.74,-1.7,;.41,-.93,;.41,.61,;-.92,1.38,;-.92,2.92,;-2.26,.61,;-3.59,1.38,;-3.75,2.92,;-5.26,3.24,;-6.03,1.9,;-5,.76,;-7.57,1.9,;-8.66,2.99,;-9.75,1.9,;-8.66,.81,;-2.26,-.93,;-.92,-1.7,;-3.59,-1.7,;-3.59,-3.24,;-4.92,-.93,)|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 160n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent




US Patent US9617242 (2017)


BindingDB Entry DOI: 10.7270/Q2ZK5MST
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM614786
PNG
(US20230271931, Example 144 | US20230271931, Exampl...)
Show SMILES CC1CCC(CC1)C1(CC1)C(=O)Nc1cc(F)c(-c2cnn(c2)C2CCC2)c(c1)C(O)=O |(9.75,1.38,;8.41,.61,;8.41,-.93,;7.08,-1.7,;5.75,-.93,;5.75,.61,;7.08,1.38,;4.41,-1.7,;3.64,-3.03,;5.18,-3.03,;3.08,-.93,;3.08,.61,;1.74,-1.7,;.41,-.93,;.41,.61,;-.92,1.38,;-.92,2.92,;-2.26,.61,;-3.59,1.38,;-3.75,2.92,;-5.26,3.24,;-6.03,1.9,;-5,.76,;-7.57,1.9,;-8.66,2.99,;-9.75,1.9,;-8.66,.81,;-2.26,-.93,;-.92,-1.7,;-3.59,-1.7,;-3.59,-3.24,;-4.92,-.93,)|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 320n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent




US Patent US9617242 (2017)


BindingDB Entry DOI: 10.7270/Q2ZK5MST
More data for this
Ligand-Target Pair