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BDBM50408803 CHEMBL339389

SMILES: N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCCCC1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O

InChI Key: InChIKey=TYVZWUIXPSGJNF-KDQXDSHDSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50408803   
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
BDKRB1


(RAT)		BDBM50408803
PNG
(CHEMBL339389)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCCCC1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C42H66N12O8/c43-28(14-9-19-48-40(44)45)34(56)50-29(15-10-20-49-41(46)47)35(57)52-42(17-7-1-2-8-18-42)39(62)51-30(24-55)36(58)53-23-27-13-4-3-11-25(27)21-32(53)37(59)54-31-16-6-5-12-26(31)22-33(54)38(60)61/h3-4,11,13,26,28-33,55H,1-2,5-10,12,14-24,43H2,(H,50,56)(H,51,62)(H,52,57)(H,60,61)(H4,44,45,48)(H4,46,47,49)/t26-,28+,29-,30-,31-,32+,33-/m0/s1
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PC cid
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UniChem

Similars
Article
PubMed
n/an/an/a 1.26E+3n/an/an/an/an/a



Institute of Mutagenesis and Differentiation

Curated by ChEMBL


Assay Description
Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle.

J Med Chem 42: 409-14 (1999)


Article DOI: 10.1021/jm980495r
BindingDB Entry DOI: 10.7270/Q25B03Q8
More data for this
Ligand-Target Pair