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Compile Data Set for Download or QSAR

Found 4 hits of ec50 data for polymerid = 49000791,49000792,49000793,49000795   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuromedin-K receptor


(GUINEA PIG)
BDBM50299467
PNG
((5S,8S,14S,17S,20S,23S,26S,29S,32S)-26-((1H-imidaz...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C60H81N13O14S2/c1-35(2)25-43(55(82)67-41(52(62)79)21-23-88-4)66-49(74)33-64-59(86)48(28-38-19-13-8-14-20-38)73(3)60(87)47(27-37-17-11-7-12-18-37)72-56(83)44(26-36-15-9-6-10-16-36)69-58(85)46(31-51(77)78)71-57(84)45(29-39-32-63-34-65-39)70-54(81)42(22-24-89-5)68-53(80)40(61)30-50(75)76/h6-20,32,34-35,40-48H,21-31,33,61H2,1-5H3,(H2,62,79)(H,63,65)(H,64,86)(H,66,74)(H,67,82)(H,68,80)(H,69,85)(H,70,81)(H,71,84)(H,72,83)(H,75,76)(H,77,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 0.600n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at guinea pig NK3 receptor expressed in cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50007962
PNG
(CHEMBL81919 | pGlu6-Phe-NMePhe-Gly-Leu-Met-NH2)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C37H51N7O7S/c1-23(2)19-28(35(49)42-26(33(38)47)17-18-52-4)41-32(46)22-39-36(50)30(21-25-13-9-6-10-14-25)44(3)37(51)29(20-24-11-7-5-8-12-24)43-34(48)27-15-16-31(45)40-27/h5-14,23,26-30H,15-22H2,1-4H3,(H2,38,47)(H,39,50)(H,40,45)(H,41,46)(H,42,49)(H,43,48)/t26-,27-,28-,29-,30-/m0/s1
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PubMed
n/an/an/an/a 0.900n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective dose of the compound was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methy...


J Med Chem 34: 2430-8 (1991)


BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50007963
PNG
(CHEMBL441061 | pGlu6-Phe-Phe-Gly-Leu-Met-NH2)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C36H49N7O7S/c1-22(2)18-27(35(49)41-25(32(37)46)16-17-51-3)40-31(45)21-38-33(47)28(19-23-10-6-4-7-11-23)42-36(50)29(20-24-12-8-5-9-13-24)43-34(48)26-14-15-30(44)39-26/h4-13,22,25-29H,14-21H2,1-3H3,(H2,37,46)(H,38,47)(H,39,44)(H,40,45)(H,41,49)(H,42,50)(H,43,48)/t25-,26-,27-,28-,29-/m0/s1
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PubMed
n/an/an/an/a 5n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective dose of the compound was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methy...


J Med Chem 34: 2430-8 (1991)


BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50007972
PNG
(CHEMBL311917 | pGlu6-Phe-Phe8(psi)CH2O-Gly-Leu-Met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C36H50N6O7S/c1-23(2)18-29(36(48)41-27(33(37)45)16-17-50-3)40-32(44)22-49-21-26(19-24-10-6-4-7-11-24)38-35(47)30(20-25-12-8-5-9-13-25)42-34(46)28-14-15-31(43)39-28/h4-13,23,26-30H,14-22H2,1-3H3,(H2,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,48)(H,42,46)/t26-,27-,28-,29-,30-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 13n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective dose of the compound was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methy...


J Med Chem 34: 2430-8 (1991)


BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair