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BDBM50030150 Arg-Pro-Lys-Pro-Gln-Gln-Phe-Dip-Pro-Leu-Met::CHEMBL2372517

SMILES: [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-c1ccccc1)-c1ccccc1)-[#6](-[#7])=O

InChI Key: InChIKey=JODIVSAUHZHVHM-CRAPKXISSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50030150   
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
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50030150
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Dip-Pro-Leu-Met | CHEM...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(c1ccccc1)c1ccccc1)C(N)=O
Show InChI InChI=1S/C72H106N18O13S/c1-43(2)41-52(64(96)81-48(61(77)93)34-40-104-3)86-68(100)56-29-18-39-90(56)71(103)60(59(45-21-9-5-10-22-45)46-23-11-6-12-24-46)87-65(97)53(42-44-19-7-4-8-20-44)85-63(95)49(30-32-57(75)91)82-62(94)50(31-33-58(76)92)83-66(98)55-28-17-38-89(55)70(102)51(26-13-14-35-73)84-67(99)54-27-16-37-88(54)69(101)47(74)25-15-36-80-72(78)79/h4-12,19-24,43,47-56,59-60H,13-18,25-42,73-74H2,1-3H3,(H2,75,91)(H2,76,92)(H2,77,93)(H,81,96)(H,82,94)(H,83,98)(H,84,99)(H,85,95)(H,86,100)(H,87,97)(H4,78,79,80)/t47-,48+,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)


Article DOI: 10.1021/jm00037a009
BindingDB Entry DOI: 10.7270/Q2571CN1
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50030150
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Dip-Pro-Leu-Met | CHEM...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(c1ccccc1)c1ccccc1)C(N)=O
Show InChI InChI=1S/C72H106N18O13S/c1-43(2)41-52(64(96)81-48(61(77)93)34-40-104-3)86-68(100)56-29-18-39-90(56)71(103)60(59(45-21-9-5-10-22-45)46-23-11-6-12-24-46)87-65(97)53(42-44-19-7-4-8-20-44)85-63(95)49(30-32-57(75)91)82-62(94)50(31-33-58(76)92)83-66(98)55-28-17-38-89(55)70(102)51(26-13-14-35-73)84-67(99)54-27-16-37-88(54)69(101)47(74)25-15-36-80-72(78)79/h4-12,19-24,43,47-56,59-60H,13-18,25-42,73-74H2,1-3H3,(H2,75,91)(H2,76,92)(H2,77,93)(H,81,96)(H,82,94)(H,83,98)(H,84,99)(H,85,95)(H,86,100)(H,87,97)(H4,78,79,80)/t47-,48+,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-SP to Neurokinin-1 (NK-1) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)


Article DOI: 10.1021/jm00037a009
BindingDB Entry DOI: 10.7270/Q2571CN1
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50030150
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Dip-Pro-Leu-Met | CHEM...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(c1ccccc1)c1ccccc1)C(N)=O
Show InChI InChI=1S/C72H106N18O13S/c1-43(2)41-52(64(96)81-48(61(77)93)34-40-104-3)86-68(100)56-29-18-39-90(56)71(103)60(59(45-21-9-5-10-22-45)46-23-11-6-12-24-46)87-65(97)53(42-44-19-7-4-8-20-44)85-63(95)49(30-32-57(75)91)82-62(94)50(31-33-58(76)92)83-66(98)55-28-17-38-89(55)70(102)51(26-13-14-35-73)84-67(99)54-27-16-37-88(54)69(101)47(74)25-15-36-80-72(78)79/h4-12,19-24,43,47-56,59-60H,13-18,25-42,73-74H2,1-3H3,(H2,75,91)(H2,76,92)(H2,77,93)(H,81,96)(H,82,94)(H,83,98)(H,84,99)(H,85,95)(H,86,100)(H,87,97)(H4,78,79,80)/t47-,48+,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes


J Med Chem 37: 1586-601 (1994)


Article DOI: 10.1021/jm00037a009
BindingDB Entry DOI: 10.7270/Q2571CN1
More data for this
Ligand-Target Pair