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BDBM50408049 CHEMBL3038098

SMILES: [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O

InChI Key: InChIKey=BFUVWSMFTLHCHD-RMQYAMEJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50408049   
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 B1 receptor


(Homo sapiens (Human))
BDBM50408049
PNG
(CHEMBL3038098)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(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(CC1CCCCC1)CC(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C59H91N19O13S/c60-39(16-6-20-67-57(61)62)49(83)73-40(17-7-21-68-58(63)64)52(86)76-23-9-19-44(76)55(89)78-31-37(80)26-45(78)51(85)70-28-47(81)72-42(27-38-15-10-24-92-38)50(84)74-43(33-79)53(87)77-30-36-14-5-4-13-35(36)25-46(77)54(88)75(29-34-11-2-1-3-12-34)32-48(82)71-41(56(90)91)18-8-22-69-59(65)66/h4-5,10,13-15,24,34,37,39-46,79-80H,1-3,6-9,11-12,16-23,25-33,60H2,(H,70,85)(H,71,82)(H,72,81)(H,73,83)(H,74,84)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t37-,39+,40+,41+,42+,43+,44+,45+,46-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Cortech, Inc.

Curated by ChEMBL


Assay Description
In vitro Bradykinin receptor B1 antagonist activity in functional tissue within rabbit aorta


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