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5 similar compounds to monomer 50371650

Compile data set for download or QSAR
Wt: 561.2
BDBM50371642
Wt: 543.2
BDBM50371643
Wt: 557.3
BDBM50371647
Wt: 521.3
BDBM50371648
Wt: 507.3
BDBM50371649

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50371642,50371643,50371647,50371648,50371649   
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))
BDBM50371643
PNG
(CHEMBL272278)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F
Show InChI InChI=1S/C22H18Cl2F6N2O3/c1-10(31-19(33)21(4-5-21)32-20(34)22(28,29)30)13-3-2-11(6-16(13)25)14-7-12(23)8-15(24)18(14)35-9-17(26)27/h2-3,6-8,10,17H,4-5,9H2,1H3,(H,31,33)(H,32,34)/t10-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/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))
BDBM50371647
PNG
(CHEMBL404705)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)cc(Cl)c1OC(CF)CF
Show InChI InChI=1S/C23H20Cl2F6N2O3/c1-11(32-20(34)22(4-5-22)33-21(35)23(29,30)31)15-3-2-12(6-18(15)28)16-7-13(24)8-17(25)19(16)36-14(9-26)10-27/h2-3,6-8,11,14H,4-5,9-10H2,1H3,(H,32,34)(H,33,35)/t11-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/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))
BDBM50371649
PNG
(CHEMBL404328)
Show SMILES CCOc1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C22H20Cl2F4N2O3/c1-3-33-18-15(9-13(23)10-16(18)24)12-4-5-14(17(25)8-12)11(2)29-19(31)21(6-7-21)30-20(32)22(26,27)28/h4-5,8-11H,3,6-7H2,1-2H3,(H,29,31)(H,30,32)/t11-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/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))
BDBM50371642
PNG
(CHEMBL436854)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)(F)F
Show InChI InChI=1S/C22H17Cl2F7N2O3/c1-10(32-18(34)20(4-5-20)33-19(35)22(29,30)31)13-3-2-11(6-16(13)25)14-7-12(23)8-15(24)17(14)36-9-21(26,27)28/h2-3,6-8,10H,4-5,9H2,1H3,(H,32,34)(H,33,35)/t10-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80n/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))
BDBM50371648
PNG
(CHEMBL255325)
Show SMILES CC(C)Oc1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C23H22Cl2F4N2O3/c1-11(2)34-19-16(9-14(24)10-17(19)25)13-4-5-15(18(26)8-13)12(3)30-20(32)22(6-7-22)31-21(33)23(27,28)29/h4-5,8-12H,6-7H2,1-3H3,(H,30,32)(H,31,33)/t12-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/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