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BDBM50407801 CHEMBL2028843

SMILES: C[C@@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CC3CCCCC3N2C(=O)[C@H]2Cc3ccccc3CN2C1=O

InChI Key: InChIKey=NQUPLELIUICDKF-VRSQJKFFSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50407801   
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
Bradykinin B2 receptor


(Oryctolagus cuniculus)		BDBM50407801
PNG
(CHEMBL2028843)
Show SMILES C[C@@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CC3CCCCC3N2C(=O)[C@H]2Cc3ccccc3CN2C1=O |r|
Show InChI InChI=1S/C43H56N10O6/c1-25-41(58)52-24-29-13-3-2-10-26(29)21-36(52)42(59)53-34-16-7-5-12-28(34)22-35(53)40(57)51-32(15-8-19-47-43(44)45)38(55)46-18-9-17-37(54)50-33(39(56)48-25)23-30-20-27-11-4-6-14-31(27)49-30/h2-4,6,10-11,13-14,20,25,28,32-36,49H,5,7-9,12,15-19,21-24H2,1H3,(H,46,55)(H,48,56)(H,50,54)(H,51,57)(H4,44,45,47)/t25-,28?,32-,33-,34?,35-,36+/m0/s1
UniProtKB/SwissProt

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n/an/an/a 490n/an/an/an/an/a



Institute de Recherches Servier

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against kinin-induced rabbit jugular vein contraction.

J Med Chem 39: 2095-101 (1996)


Article DOI: 10.1021/jm950682e
BindingDB Entry DOI: 10.7270/Q2PG1SXN
More data for this
Ligand-Target Pair