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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 = 'BDBM50403165'   
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)		BDBM50403165
PNG
(CHEMBL424567)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)c1cnc([nH]1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H60N10O5/c1-32(2)24-45(52(67)60-43(48(54)64)26-34-16-7-4-8-17-34)63-53(68)46(28-36-30-57-41-21-12-10-19-38(36)41)62-50(65)39(25-33-14-5-3-6-15-33)47-31-58-49(59-47)44(61-51(66)42-22-13-23-55-42)27-35-29-56-40-20-11-9-18-37(35)40/h3-12,14-21,29-32,39,42-46,55-57H,13,22-28H2,1-2H3,(H2,54,64)(H,58,59)(H,60,67)(H,61,66)(H,62,65)(H,63,68)/t39-,42+,43+,44-,45+,46-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/an/a 200n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the antagonistic activity against substance P receptor in guinea pig myenteric plexus longitudinal muscle str...

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