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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50403167'   
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


(GUINEA PIG)		BDBM50403167
PNG
(CHEMBL172794)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)c1cnc(s1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H59N9O5S/c1-32(2)24-44(51(66)59-43(48(54)63)26-34-16-7-4-8-17-34)61-52(67)45(27-35-29-56-40-20-11-9-18-37(35)40)60-49(64)39(25-33-14-5-3-6-15-33)47-31-58-53(68-47)46(62-50(65)42-22-13-23-55-42)28-36-30-57-41-21-12-10-19-38(36)41/h3-12,14-21,29-32,39,42-46,55-57H,13,22-28H2,1-2H3,(H2,54,63)(H,59,66)(H,60,64)(H,61,67)(H,62,65)/t39-,42+,43+,44+,45-,46+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
n/an/an/a 126n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the antagonistic activity against Tachykinin receptor 1 in guinea pig myenteric plexus longitudinal muscle st...

Bioorg Med Chem Lett 3: 915-920 (1993)


Article DOI: 10.1016/S0960-894X(00)80692-7
BindingDB Entry DOI: 10.7270/Q2057H3J
More data for this
Ligand-Target Pair