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SMILES: C[C@]12C[C@H](N(C(=O)[C@H]3Cc4ccccc4CN3C(=O)[C@H](CO)NC(=O)[C@H](Cc3cccs3)NC(=O)CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC(=O)c3ccc(NC(=N)CN)cc3)[C@@]1(C)CCCC2)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI Key: InChIKey=VGVIXKXOYTVGPS-CHJXORTFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50403372   
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
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50403372
PNG
(CHEMBL437155)
Show SMILES C[C@]12C[C@H](N(C(=O)[C@H]3Cc4ccccc4CN3C(=O)[C@H](CO)NC(=O)[C@H](Cc3cccs3)NC(=O)CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC(=O)c3ccc(NC(=N)CN)cc3)[C@@]1(C)CCCC2)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C64H90N18O13S/c1-63-21-5-6-22-64(63,2)82(49(30-63)55(89)77-43(60(94)95)15-8-24-72-62(69)70)59(93)48-27-37-11-3-4-12-38(37)33-80(48)57(91)45(35-83)78-53(87)44(29-41-13-10-26-96-41)75-51(85)32-73-54(88)47-28-40(84)34-81(47)58(92)46-16-9-25-79(46)56(90)42(14-7-23-71-61(67)68)76-52(86)36-17-19-39(20-18-36)74-50(66)31-65/h3-4,10-13,17-20,26,40,42-49,83-84H,5-9,14-16,21-25,27-35,65H2,1-2H3,(H2,66,74)(H,73,88)(H,75,85)(H,76,86)(H,77,89)(H,78,87)(H,94,95)(H4,67,68,71)(H4,69,70,72)/t40-,42+,43+,44+,45+,46-,47+,48-,49+,63+,64+/m1/s1
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Article
n/an/an/a 0.263n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist effect against bradykinin B2 receptor was determined in rabbit jugular vein

Bioorg Med Chem Lett 4: 781-784 (1994)


Article DOI: 10.1016/S0960-894X(01)80847-7
BindingDB Entry DOI: 10.7270/Q2NP25KV
More data for this
Ligand-Target Pair