Found 4 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50341316' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Substance-P receptor
(Homo sapiens (Human)) | BDBM50341316
((S)-N-((S)-1-((S)-3-(1H-indol-3-yl)-1-oxo-1-(3-(tr...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C61H77F3N10O9/c1-7-8-21-48(71-58(81)50(29-39-16-10-9-11-17-39)70-53(76)34-68-54(77)38(6)69-55(78)46(65)31-45-36(4)26-43(75)27-37(45)5)60(83)74-24-15-23-52(74)59(82)73-49(25-35(2)3)57(80)72-51(30-41-33-66-47-22-13-12-20-44(41)47)56(79)67-32-40-18-14-19-42(28-40)61(62,63)64/h9-14,16-20,22,26-28,33,35,38,46,48-52,66,75H,7-8,15,21,23-25,29-32,34,65H2,1-6H3,(H,67,79)(H,68,77)(H,69,78)(H,70,76)(H,71,81)(H,72,80)(H,73,82)/t38-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50341316
((S)-N-((S)-1-((S)-3-(1H-indol-3-yl)-1-oxo-1-(3-(tr...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C61H77F3N10O9/c1-7-8-21-48(71-58(81)50(29-39-16-10-9-11-17-39)70-53(76)34-68-54(77)38(6)69-55(78)46(65)31-45-36(4)26-43(75)27-37(45)5)60(83)74-24-15-23-52(74)59(82)73-49(25-35(2)3)57(80)72-51(30-41-33-66-47-22-13-12-20-44(41)47)56(79)67-32-40-18-14-19-42(28-40)61(62,63)64/h9-14,16-20,22,26-28,33,35,38,46,48-52,66,75H,7-8,15,21,23-25,29-32,34,65H2,1-6H3,(H,67,79)(H,68,77)(H,69,78)(H,70,76)(H,71,81)(H,72,80)(H,73,82)/t38-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50341316
((S)-N-((S)-1-((S)-3-(1H-indol-3-yl)-1-oxo-1-(3-(tr...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C61H77F3N10O9/c1-7-8-21-48(71-58(81)50(29-39-16-10-9-11-17-39)70-53(76)34-68-54(77)38(6)69-55(78)46(65)31-45-36(4)26-43(75)27-37(45)5)60(83)74-24-15-23-52(74)59(82)73-49(25-35(2)3)57(80)72-51(30-41-33-66-47-22-13-12-20-44(41)47)56(79)67-32-40-18-14-19-42(28-40)61(62,63)64/h9-14,16-20,22,26-28,33,35,38,46,48-52,66,75H,7-8,15,21,23-25,29-32,34,65H2,1-6H3,(H,67,79)(H,68,77)(H,69,78)(H,70,76)(H,71,81)(H,72,80)(H,73,82)/t38-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from rat NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50341316
((S)-N-((S)-1-((S)-3-(1H-indol-3-yl)-1-oxo-1-(3-(tr...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C61H77F3N10O9/c1-7-8-21-48(71-58(81)50(29-39-16-10-9-11-17-39)70-53(76)34-68-54(77)38(6)69-55(78)46(65)31-45-36(4)26-43(75)27-37(45)5)60(83)74-24-15-23-52(74)59(82)73-49(25-35(2)3)57(80)72-51(30-41-33-66-47-22-13-12-20-44(41)47)56(79)67-32-40-18-14-19-42(28-40)61(62,63)64/h9-14,16-20,22,26-28,33,35,38,46,48-52,66,75H,7-8,15,21,23-25,29-32,34,65H2,1-6H3,(H,67,79)(H,68,77)(H,69,78)(H,70,76)(H,71,81)(H,72,80)(H,73,82)/t38-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 389 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from rat NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
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