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BDBM85518 tc-NH2::trans-cinnamoyl-LIGRLO-NH2

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C=Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C(N)=O

InChI Key: InChIKey=PZCACBYHRYBWHF-HLMVIKOSSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 85518   
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
F2RL1


(RAT)
BDBM85518
PNG
(tc-NH2 | trans-cinnamoyl-LIGRLO-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C=Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C(N)=O |r,w:16.15|
Show InChI InChI=1S/C40H67N11O7/c1-7-26(6)34(51-38(57)30(21-24(2)3)48-32(52)18-17-27-13-9-8-10-14-27)39(58)46-23-33(53)47-29(16-12-20-45-40(43)44)36(55)50-31(22-25(4)5)37(56)49-28(35(42)54)15-11-19-41/h8-10,13-14,17-18,24-26,28-31,34H,7,11-12,15-16,19-23,41H2,1-6H3,(H2,42,54)(H,46,58)(H,47,53)(H,48,52)(H,49,56)(H,50,55)(H,51,57)(H4,43,44,45)/t26-,28-,29-,30-,31-,34-/m0/s1
PDB

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PC cid
PC sid
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Similars

PubMed
260n/an/an/an/an/an/an/an/a



The University of Calgary

Curated by PDSP Ki Database




J Pharmacol Exp Ther 290: 753-60 (1999)


BindingDB Entry DOI: 10.7270/Q2N878BQ
More data for this
Ligand-Target Pair