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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50290545'   
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
B1 bradykinin receptor


(RAT)		BDBM50290545
PNG
((S)-2-{[(S)-1-((S)-2-{13-[(S)-2-((S)-2,6-Diamino-h...)
Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C42H72N10O8/c43-24-14-13-20-31(44)37(55)50-32(21-16-26-48-42(45)46)38(56)47-25-15-8-6-4-2-1-3-5-7-12-23-36(54)49-34(29-53)40(58)52-27-17-22-35(52)39(57)51-33(41(59)60)28-30-18-10-9-11-19-30/h9-11,18-19,31-35,53H,1-8,12-17,20-29,43-44H2,(H,47,56)(H,49,54)(H,50,55)(H,51,57)(H,59,60)(H4,45,46,48)/t31-,32-,33-,34-,35-/m0/s1
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Similars
Article
n/an/an/an/a 980n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for agonist activity against B1 receptor in rat ileum longitudinal smooth muscle

Bioorg Med Chem Lett 7: 2661-2664 (1997)


Article DOI: 10.1016/S0960-894X(97)10042-7
BindingDB Entry DOI: 10.7270/Q2BC3ZJD
More data for this
Ligand-Target Pair