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

InChI Key: InChIKey=UMNBFHMYNMLTCX-YRJLALSUSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50408056   
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
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
CHEMBL5274911
PNG
Show 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]-[#6@H](-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C55H91N19O13S/c56-35(16-6-20-63-53(57)58)45(79)69-36(17-7-21-64-54(59)60)49(83)72-23-9-19-40(72)50(84)74-28-33(76)25-41(74)48(82)66-27-42(77)68-38(26-34-15-10-24-88-34)46(80)70-39(30-75)47(81)71-44(31-11-4-5-12-31)51(85)73(32-13-2-1-3-14-32)29-43(78)67-37(52(86)87)18-8-22-65-55(61)62/h10,15,24,31-33,35-41,44,75-76H,1-9,11-14,16-23,25-30,56H2,(H,66,82)(H,67,78)(H,68,77)(H,69,79)(H,70,80)(H,71,81)(H,86,87)(H4,57,58,63)(H4,59,60,64)(H4,61,62,65)/t33-,35+,36+,37+,38+,39+,40+,41+,44-/m1/s1
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

5.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity against bradykinin B2 receptor


Citation and Details
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
CHEMBL5274911
PNG
Show 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]-[#6@H](-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C55H91N19O13S/c56-35(16-6-20-63-53(57)58)45(79)69-36(17-7-21-64-54(59)60)49(83)72-23-9-19-40(72)50(84)74-28-33(76)25-41(74)48(82)66-27-42(77)68-38(26-34-15-10-24-88-34)46(80)70-39(30-75)47(81)71-44(31-11-4-5-12-31)51(85)73(32-13-2-1-3-14-32)29-43(78)67-37(52(86)87)18-8-22-65-55(61)62/h10,15,24,31-33,35-41,44,75-76H,1-9,11-14,16-23,25-30,56H2,(H,66,82)(H,67,78)(H,68,77)(H,69,79)(H,70,80)(H,71,81)(H,86,87)(H4,57,58,63)(H4,59,60,64)(H4,61,62,65)/t33-,35+,36+,37+,38+,39+,40+,41+,44-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

5.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Rat liver Dihydrofolate reductase(DHFR)


Citation and Details
More data for this
Ligand-Target Pair