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6 similar compounds to monomer 50371651

Compile data set for download or QSAR
Wt: 573.3
BDBM50371644
Wt: 587.3
BDBM50371652
Wt: 543.3
BDBM50371653
Wt: 507.3
BDBM50371658
Wt: 573.3
BDBM140536
Wt: 559.3
BDBM140537

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50371644,50371652,50371653,50371658,140536,140537   
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 B1 receptor


(Homo sapiens (Human))
BDBM50371653
PNG
(CHEMBL255997)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1ccno1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F
Show InChI InChI=1S/C23H19Cl2F3N4O4/c1-11(31-22(34)23(3-4-23)32-21(33)17-2-5-30-36-17)19-16(26)6-12(9-29-19)14-7-13(24)8-15(25)20(14)35-10-18(27)28/h2,5-9,11,18H,3-4,10H2,1H3,(H,31,34)(H,32,33)/t11-/m1/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in rat CNS


Bioorg Med Chem Lett 18: 682-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.057
BindingDB Entry DOI: 10.7270/Q29024NB
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50371644
PNG
(CHEMBL404484)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F
Show InChI InChI=1S/C24H21Cl2F3N4O5/c1-11(31-23(35)24(3-4-24)32-22(34)17-8-19(36-2)33-38-17)20-16(27)5-12(9-30-20)14-6-13(25)7-15(26)21(14)37-10-18(28)29/h5-9,11,18H,3-4,10H2,1-2H3,(H,31,35)(H,32,34)/t11-/m1/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in rat CNS


Bioorg Med Chem Lett 18: 682-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.057
BindingDB Entry DOI: 10.7270/Q29024NB
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50371658
PNG
(CHEMBL270173)
Show SMILES CCOc1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(CC2)NC(=O)c2ccno2)c(F)c1
Show InChI InChI=1S/C23H21Cl2FN4O4/c1-3-33-20-15(9-14(24)10-16(20)25)13-8-17(26)19(27-11-13)12(2)29-22(32)23(5-6-23)30-21(31)18-4-7-28-34-18/h4,7-12H,3,5-6H2,1-2H3,(H,29,32)(H,30,31)/t12-/m1/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
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Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in rat CNS


Bioorg Med Chem Lett 18: 682-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.057
BindingDB Entry DOI: 10.7270/Q29024NB
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50371652
PNG
(CHEMBL404280)
Show SMILES CCOc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F
Show InChI InChI=1S/C25H23Cl2F3N4O5/c1-3-37-20-9-18(39-34-20)23(35)33-25(4-5-25)24(36)32-12(2)21-17(28)6-13(10-31-21)15-7-14(26)8-16(27)22(15)38-11-19(29)30/h6-10,12,19H,3-5,11H2,1-2H3,(H,32,36)(H,33,35)/t12-/m1/s1
KEGG

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PubMed
1.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in rat CNS


Bioorg Med Chem Lett 18: 682-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.057
BindingDB Entry DOI: 10.7270/Q29024NB
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM140537
PNG
(US8912221, 10)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1ccno1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F
Show InChI InChI=1/C23H19Cl2F3N4O5/c1-11(31-22(34)23(9-35-10-23)32-21(33)17-2-3-30-37-17)19-16(26)4-12(7-29-19)14-5-13(24)6-15(25)20(14)36-8-18(27)28/h2-7,11,18H,8-10H2,1H3,(H,31,34)(H,32,33)/t11-/s2
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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US Patent
4.70n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM140536
PNG
(US8912221, 9)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1cc(C)no1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F
Show InChI InChI=1/C24H21Cl2F3N4O5/c1-11-3-18(38-33-11)22(34)32-24(9-36-10-24)23(35)31-12(2)20-17(27)4-13(7-30-20)15-5-14(25)6-16(26)21(15)37-8-19(28)29/h3-7,12,19H,8-10H2,1-2H3,(H,31,35)(H,32,34)/t12-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
5.10n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair