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BDBM107178 US8592426, 27

SMILES: Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccnnc1

InChI Key: InChIKey=FNFMOUAVCVSXID-QFIPXVFZSA-N

Data: 1 KI  1 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 2 hits for monomerid = 107178   
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
Bradykinin-1 Receptor


(Homo sapiens (Human))
BDBM107178
PNG
(US8592426, 27)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccnnc1 |r|
Show InChI InChI=1S/C27H22ClFN6O3/c1-14-32-24(35-38-14)23-20(11-18(28)12-21(23)29)16-2-4-19-15(10-16)3-5-22(19)33-26(37)27(7-8-27)34-25(36)17-6-9-30-31-13-17/h2,4,6,9-13,22H,3,5,7-8H2,1H3,(H,33,37)(H,34,36)/t22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
3.60n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Bradykinin-1 Receptor


(Homo sapiens (Human))
BDBM107178
PNG
(US8592426, 27)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccnnc1 |r|
Show InChI InChI=1S/C27H22ClFN6O3/c1-14-32-24(35-38-14)23-20(11-18(28)12-21(23)29)16-2-4-19-15(10-16)3-5-22(19)33-26(37)27(7-8-27)34-25(36)17-6-9-30-31-13-17/h2,4,6,9-13,22H,3,5,7-8H2,1H3,(H,33,37)(H,34,36)/t22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.400n/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Calcium mobilization assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair