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BDBM50408054 CHEMBL3038100

SMILES: NC(=N)NCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1CCCCC1

InChI Key: InChIKey=JNGLWYIRQKAUTE-FKJCGLDHSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50408054   
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
BDKRB2


(RAT)
BDBM50408054
PNG
(CHEMBL3038100)
Show SMILES NC(=N)NCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1CCCCC1
Show InChI InChI=1S/C58H88N18O13S/c59-56(60)65-21-7-6-20-46(79)69-39(17-8-22-66-57(61)62)51(84)73-24-10-19-43(73)53(86)76-31-37(78)27-44(76)50(83)68-29-47(80)71-41(28-38-16-11-25-90-38)49(82)72-42(33-77)52(85)75-30-35-13-5-4-12-34(35)26-45(75)54(87)74(36-14-2-1-3-15-36)32-48(81)70-40(55(88)89)18-9-23-67-58(63)64/h4-5,11-13,16,25,36-37,39-45,77-78H,1-3,6-10,14-15,17-24,26-33H2,(H,68,83)(H,69,79)(H,70,81)(H,71,80)(H,72,82)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t37-,39-,40-,41-,42-,43+,44+,45+/m0/s1
UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 22.4n/an/an/an/an/a



Cortech, Inc.

Curated by ChEMBL


Assay Description
In vitro Bradykinin receptor B2 antagonist activity by using rat uterus functional assay


J Med Chem 39: 1472-84 (1996)


Article DOI: 10.1021/jm950716i
BindingDB Entry DOI: 10.7270/Q2HQ413S
More data for this
Ligand-Target Pair