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PubMed code 11428921

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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
Substance-P receptor


(Homo sapiens (Human))
BDBM50101417
PNG
(CHEMBL539928 | [1-Dimethylaminomethyl-2-(1H-indol-...)
Show SMILES C[C@H](NC(=O)[C@@](CN(C)C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1
Show InChI InChI=1S/C32H34N4O4/c1-22(23-11-5-4-6-12-23)34-30(37)32(21-36(2)3,18-25-19-33-28-15-9-8-14-27(25)28)35-31(38)39-20-26-17-24-13-7-10-16-29(24)40-26/h4-17,19,22,33H,18,20-21H2,1-3H3,(H,34,37)(H,35,38)/t22-,32-/m0/s1
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PubMed
n/an/a 0.460n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibition of specific binding at tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101415
PNG
(CHEMBL306089 | [2-(1H-Indol-3-yl)-1-methoxymethyl-...)
Show SMILES COC[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1cc2ccccc2o1)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C31H31N3O5/c1-21(22-10-4-3-5-11-22)33-29(35)31(20-37-2,17-24-18-32-27-14-8-7-13-26(24)27)34-30(36)38-19-25-16-23-12-6-9-15-28(23)39-25/h3-16,18,21,32H,17,19-20H2,1-2H3,(H,33,35)(H,34,36)/t21-,31-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibition of specific binding at tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101420
PNG
(CHEMBL76501 | [2-(1H-Indol-3-yl)-1-(1-phenyl-ethyl...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1
Show InChI InChI=1S/C29H27N3O4/c1-19(20-9-3-2-4-10-20)31-28(33)26(16-22-17-30-25-13-7-6-12-24(22)25)32-29(34)35-18-23-15-21-11-5-8-14-27(21)36-23/h2-15,17,19,26,30H,16,18H2,1H3,(H,31,33)(H,32,34)/t19-,26+/m0/s1
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n/an/a 0.730n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibition of specific binding at tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101414
PNG
(CHEMBL76455 | [1-(1H-Indol-3-ylmethyl)-1-(1-phenyl...)
Show SMILES CCC[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1cc2ccccc2o1)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C32H33N3O4/c1-3-17-32(19-25-20-33-28-15-9-8-14-27(25)28,30(36)34-22(2)23-11-5-4-6-12-23)35-31(37)38-21-26-18-24-13-7-10-16-29(24)39-26/h4-16,18,20,22,33H,3,17,19,21H2,1-2H3,(H,34,36)(H,35,37)/t22-,32+/m0/s1
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n/an/a 0.850n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibition of specific binding at tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101419
PNG
(CHEMBL77684 | [1-(1H-Indol-3-ylmethyl)-1-(1-phenyl...)
Show SMILES CC[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1cc2ccccc2o1)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C31H31N3O4/c1-3-31(18-24-19-32-27-15-9-8-14-26(24)27,29(35)33-21(2)22-11-5-4-6-12-22)34-30(36)37-20-25-17-23-13-7-10-16-28(23)38-25/h4-17,19,21,32H,3,18,20H2,1-2H3,(H,33,35)(H,34,36)/t21-,31+/m0/s1
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n/an/a 0.960n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibition of specific binding at tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101416
PNG
(CHEMBL307488 | [(R)-2-(3H-Indol-3-yl)-1-methyl-1-(...)
Show SMILES C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1
Show InChI InChI=1S/C30H29N3O4/c1-20(21-10-4-3-5-11-21)32-28(34)30(2,17-23-18-31-26-14-8-7-13-25(23)26)33-29(35)36-19-24-16-22-12-6-9-15-27(22)37-24/h3-16,18,20,31H,17,19H2,1-2H3,(H,32,34)(H,33,35)/t20-,30+/m0/s1
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n/an/a 1.05n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibition of specific binding at tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101418
PNG
(CHEMBL72895 | [1-(1H-Indol-3-ylmethyl)-3-methyl-1-...)
Show SMILES CC(C)C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1cc2ccccc2o1)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C33H35N3O4/c1-22(2)18-33(19-26-20-34-29-15-9-8-14-28(26)29,31(37)35-23(3)24-11-5-4-6-12-24)36-32(38)39-21-27-17-25-13-7-10-16-30(25)40-27/h4-17,20,22-23,34H,18-19,21H2,1-3H3,(H,35,37)(H,36,38)/t23-,33+/m0/s1
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n/an/a 3.79n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibition of specific binding at tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101417
PNG
(CHEMBL539928 | [1-Dimethylaminomethyl-2-(1H-indol-...)
Show SMILES C[C@H](NC(=O)[C@@](CN(C)C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1
Show InChI InChI=1S/C32H34N4O4/c1-22(23-11-5-4-6-12-23)34-30(37)32(21-36(2)3,18-25-19-33-28-15-9-8-14-27(25)28)35-31(38)39-20-26-17-24-13-7-10-16-29(24)40-26/h4-17,19,22,33H,18,20-21H2,1-3H3,(H,34,37)(H,35,38)/t22-,32-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
In vitro affinity for specific binding at Gerbil tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50101416
PNG
(CHEMBL307488 | [(R)-2-(3H-Indol-3-yl)-1-methyl-1-(...)
Show SMILES C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1
Show InChI InChI=1S/C30H29N3O4/c1-20(21-10-4-3-5-11-21)32-28(34)30(2,17-23-18-31-26-14-8-7-13-25(23)26)33-29(35)36-19-24-16-22-12-6-9-15-27(22)37-24/h3-16,18,20,31H,17,19H2,1-2H3,(H,32,34)(H,33,35)/t20-,30+/m0/s1
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PubMed
n/an/a 5.90n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
In vitro affinity for specific binding at Gerbil tachykinin receptor 1


J Med Chem 44: 2276-85 (2001)


BindingDB Entry DOI: 10.7270/Q2XS5TN8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%