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Compile Data Set for Download or QSAR

Found 6 hits of affinity data for UniProtKB/TrEMBL: Q9EP86   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide FF receptor 1


(Rattus norvegicus)
BDBM50037567
PNG
(2-[(Pyrrolidine-2-carbonyl)-amino]-pentanedioic ac...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H78N14O11/c1-32(2)28-42(67-48(74)37(56)29-35-18-20-36(70)21-19-35)53(79)68(3)44(31-34-14-8-5-9-15-34)52(78)65-40(23-25-46(58)72)54(80)69-27-11-17-43(69)51(77)64-39(22-24-45(57)71)50(76)63-38(16-10-26-62-55(60)61)49(75)66-41(47(59)73)30-33-12-6-4-7-13-33/h4-9,12-15,18-21,32,37-44,70H,10-11,16-17,22-31,56H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,73)(H,63,76)(H,64,77)(H,65,78)(H,66,75)(H,67,74)(H4,60,61,62)/t37-,38+,39+,40+,41+,42+,43+,44+/m1/s1
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.60n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-1DMeNPFF from rat NPFFR1 expressed in HEK293 cells incubated for 2 hrs by scintillation counting method


J Med Chem 63: 12387-12402 (2020)

More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Rattus norvegicus)
BDBM50565185
PNG
(CHEMBL4777535)
Show SMILES Cc1cc(NC(N)=N)nc2ccccc12
Show InChI InChI=1S/C11H12N4/c1-7-6-10(15-11(12)13)14-9-5-3-2-4-8(7)9/h2-6H,1H3,(H4,12,13,14,15)
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
7n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity to rat NPFFR1 by radioligand binding assay


J Med Chem 63: 12387-12402 (2020)

More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Rattus norvegicus)
BDBM50037573
PNG
((S)-2-[((S)-Pyrrolidine-2-carbonyl)-amino]-pentane...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C25H39N9O5/c26-20(35)11-10-18(33-22(37)16-8-4-12-30-16)24(39)32-17(9-5-13-31-25(28)29)23(38)34-19(21(27)36)14-15-6-2-1-3-7-15/h1-3,6-7,16-19,30H,4-5,8-14H2,(H2,26,35)(H2,27,36)(H,32,39)(H,33,37)(H,34,38)(H4,28,29,31)/t16-,17-,18-,19-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
25n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-1DMeNPFF from rat NPFFR1 expressed in HEK293 cells incubated for 2 hrs by scintillation counting method


J Med Chem 63: 12387-12402 (2020)

More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Rattus norvegicus)
BDBM50565184
PNG
(CHEMBL4799458)
Show SMILES Cc1cc(NC(N)=N)nc2ccc(Cl)cc12
Show InChI InChI=1S/C11H11ClN4/c1-6-4-10(16-11(13)14)15-9-3-2-7(12)5-8(6)9/h2-5H,1H3,(H4,13,14,15,16)
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
25n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity to rat NPFFR1 by radioligand binding assay


J Med Chem 63: 12387-12402 (2020)

More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Rattus norvegicus)
BDBM50565179
PNG
(CHEMBL4782986)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O
Show InChI InChI=1S/C30H40N8O4/c31-26(39)25-17-20-10-4-5-11-21(20)18-38(25)29(42)23(13-7-15-35-30(32)33)36-28(41)24(16-19-8-2-1-3-9-19)37-27(40)22-12-6-14-34-22/h1-5,8-11,22-25,34H,6-7,12-18H2,(H2,31,39)(H,36,41)(H,37,40)(H4,32,33,35)/t22-,23-,24-,25-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
101n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I](Tyr)NPF from rat NPFFR1 expressed in rat PC12 cells incubated for 1 hr


J Med Chem 63: 12387-12402 (2020)

More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Rattus norvegicus)
BDBM50565179
PNG
(CHEMBL4782986)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O
Show InChI InChI=1S/C30H40N8O4/c31-26(39)25-17-20-10-4-5-11-21(20)18-38(25)29(42)23(13-7-15-35-30(32)33)36-28(41)24(16-19-8-2-1-3-9-19)37-27(40)22-12-6-14-34-22/h1-5,8-11,22-25,34H,6-7,12-18H2,(H2,31,39)(H,36,41)(H,37,40)(H4,32,33,35)/t22-,23-,24-,25-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I](Tyr)NPF from rat NPFFR1 expressed in rat PC12 cells incubated for 1 hr


J Med Chem 63: 12387-12402 (2020)

More data for this
Ligand-Target Pair