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7 similar compounds to monomer 50289778

Compile data set for download or QSAR
Wt: 525.7
BDBM50289770
Wt: 567.7
BDBM50289775
Wt: 623.8
BDBM50289777
Wt: 681.9
BDBM50289763
Wt: 695.0
BDBM50289765
Wt: 526.7
BDBM50289767
Wt: 695.0
BDBM50289768

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50289770,50289775,50289777,50289763,50289765,50289767,50289768   
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
BDKRB2


(Homo sapiens (Human))
BDBM50289767
PNG
((S)-2-(N',N''-Dicyclohexyl-guanidino)-N-(4-hydroxy...)
Show SMILES OCc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)N=C(NC2CCCCC2)NC2CCCCC2)cc1
Show InChI InChI=1S/C33H42N4O2/c38-23-24-16-19-30(20-17-24)34-32(39)31(22-25-15-18-26-9-7-8-10-27(26)21-25)37-33(35-28-11-3-1-4-12-28)36-29-13-5-2-6-14-29/h7-10,15-21,28-29,31,38H,1-6,11-14,22-23H2,(H,34,39)(H2,35,36,37)/t31-/m0/s1
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Article
4.95E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human IMR 90 fetal lung fibroblast bradykinin receptor B2


Bioorg Med Chem Lett 5: 357-362 (1995)


Article DOI: 10.1016/0960-894X(95)00035-R
BindingDB Entry DOI: 10.7270/Q2S75GTM
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50289768
PNG
(CHEMBL294452 | Tributyl-{4-[(S)-2-(N',N''-dicycloh...)
Show SMILES CCCC[N+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)N=C(NC2CCCCC2)NC2CCCCC2)cc1
Show InChI InChI=1S/C45H67N5O/c1-4-7-30-50(31-8-5-2,32-9-6-3)35-36-25-28-42(29-26-36)46-44(51)43(34-37-24-27-38-18-16-17-19-39(38)33-37)49-45(47-40-20-12-10-13-21-40)48-41-22-14-11-15-23-41/h16-19,24-29,33,40-41,43H,4-15,20-23,30-32,34-35H2,1-3H3,(H2-,46,47,48,49,51)/p+1/t43-/m0/s1
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n/an/an/a 540n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1, activity expressed as Kd


Bioorg Med Chem Lett 7: 1921-1926 (1997)


Article DOI: 10.1016/S0960-894X(97)00328-4
BindingDB Entry DOI: 10.7270/Q2XG9R44
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50289765
PNG
(CHEMBL292816 | Tributyl-{4-[(R)-2-(N',N''-dicycloh...)
Show SMILES CCCC[N+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@@H](Cc2ccc3ccccc3c2)N=C(NC2CCCCC2)NC2CCCCC2)cc1
Show InChI InChI=1S/C45H67N5O/c1-4-7-30-50(31-8-5-2,32-9-6-3)35-36-25-28-42(29-26-36)46-44(51)43(34-37-24-27-38-18-16-17-19-39(38)33-37)49-45(47-40-20-12-10-13-21-40)48-41-22-14-11-15-23-41/h16-19,24-29,33,40-41,43H,4-15,20-23,30-32,34-35H2,1-3H3,(H2-,46,47,48,49,51)/p+1/t43-/m1/s1
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n/an/an/a 290n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1, activity expressed as Kd


Bioorg Med Chem Lett 7: 1921-1926 (1997)


Article DOI: 10.1016/S0960-894X(97)00328-4
BindingDB Entry DOI: 10.7270/Q2XG9R44
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50289775
PNG
((R)-2-(N',N''-Dicyclohexyl-guanidino)-N-(4-guanidi...)
Show SMILES NC(=N)NCc1ccc(NC(=O)[C@@H](Cc2ccc3ccccc3c2)N=C(NC2CCCCC2)NC2CCCCC2)cc1
Show InChI InChI=1S/C34H45N7O/c35-33(36)37-23-24-16-19-30(20-17-24)38-32(42)31(22-25-15-18-26-9-7-8-10-27(26)21-25)41-34(39-28-11-3-1-4-12-28)40-29-13-5-2-6-14-29/h7-10,15-21,28-29,31H,1-6,11-14,22-23H2,(H,38,42)(H4,35,36,37)(H2,39,40,41)/t31-/m1/s1
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n/an/an/a 860n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1, activity expressed as Kd


Bioorg Med Chem Lett 7: 1921-1926 (1997)


Article DOI: 10.1016/S0960-894X(97)00328-4
BindingDB Entry DOI: 10.7270/Q2XG9R44
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50289777
PNG
((S)-2-(N',N''-Dicyclohexyl-guanidino)-N-[4-(N',N''...)
Show SMILES CCNC(NCC)=NCc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)N=C(NC2CCCCC2)NC2CCCCC2)cc1
Show InChI InChI=1S/C38H53N7O/c1-3-39-37(40-4-2)41-27-28-20-23-34(24-21-28)42-36(46)35(26-29-19-22-30-13-11-12-14-31(30)25-29)45-38(43-32-15-7-5-8-16-32)44-33-17-9-6-10-18-33/h11-14,19-25,32-33,35H,3-10,15-18,26-27H2,1-2H3,(H,42,46)(H2,39,40,41)(H2,43,44,45)/t35-/m0/s1
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n/an/an/a 1.80E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1, activity expressed as Kd


Bioorg Med Chem Lett 7: 1921-1926 (1997)


Article DOI: 10.1016/S0960-894X(97)00328-4
BindingDB Entry DOI: 10.7270/Q2XG9R44
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50289763
PNG
(1N-{4-[1-cyclohexylamino(cyclohexylimino)methylami...)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)N=C(NC2CCCCC2)NC2CCCCC2)cc1
Show InChI InChI=1S/C39H55N9O2/c40-34(16-9-23-43-38(41)42)36(49)44-26-27-18-21-33(22-19-27)45-37(50)35(25-28-17-20-29-10-7-8-11-30(29)24-28)48-39(46-31-12-3-1-4-13-31)47-32-14-5-2-6-15-32/h7-8,10-11,17-22,24,31-32,34-35H,1-6,9,12-16,23,25-26,40H2,(H,44,49)(H,45,50)(H4,41,42,43)(H2,46,47,48)/t34-,35-/m0/s1
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n/an/an/a 1.50E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1, activity expressed as Kd


Bioorg Med Chem Lett 7: 1921-1926 (1997)


Article DOI: 10.1016/S0960-894X(97)00328-4
BindingDB Entry DOI: 10.7270/Q2XG9R44
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50289770
PNG
((S)-N-(4-Aminomethyl-phenyl)-2-(N',N''-dicyclohexy...)
Show SMILES NCc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)N=C(NC2CCCCC2)NC2CCCCC2)cc1
Show InChI InChI=1S/C33H43N5O/c34-23-24-16-19-30(20-17-24)35-32(39)31(22-25-15-18-26-9-7-8-10-27(26)21-25)38-33(36-28-11-3-1-4-12-28)37-29-13-5-2-6-14-29/h7-10,15-21,28-29,31H,1-6,11-14,22-23,34H2,(H,35,39)(H2,36,37,38)/t31-/m0/s1
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n/an/an/a 1.30E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1, activity expressed as Kd


Bioorg Med Chem Lett 7: 1921-1926 (1997)


Article DOI: 10.1016/S0960-894X(97)00328-4
BindingDB Entry DOI: 10.7270/Q2XG9R44
More data for this
Ligand-Target Pair