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BDBM50009228 CHEMBL413846::SP (substance P)::Spantide

SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=O

InChI Key: InChIKey=HNXFBGXMPKOSSG-CSYZDTNESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50009228   
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
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50009228
PNG
(CHEMBL413846 | SP (substance P) | Spantide)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=O
Show InChI InChI=1S/C60H92N16O13S/c1-36(2)31-43(53(82)72-42(59(88)89)25-30-90-3)70-50(79)34-67-51(80)44(32-37-15-6-4-7-16-37)73-54(83)45(33-38-17-8-5-9-18-38)74-52(81)40(23-24-48(63)77)69-49(78)35-68-55(84)46-21-13-29-76(46)58(87)41(20-12-27-66-60(64)65)71-56(85)47-22-14-28-75(47)57(86)39(62)19-10-11-26-61/h4-9,15-18,36,39-47H,10-14,19-35,61-62H2,1-3H3,(H2,63,77)(H,67,80)(H,68,84)(H,69,78)(H,70,79)(H,71,85)(H,72,82)(H,73,83)(H,74,81)(H,88,89)(H4,64,65,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 0.120n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair