BindingDB logo
myBDB logout

BDBM84713 nafarelin 4NMeSer

SMILES: CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O

InChI Key: InChIKey=RFMOPYDNFPRSOY-UJJXWCNTSA-N

Data: 1 KI

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 1 hit for monomerid = 84713   
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
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84713
PNG
(nafarelin 4NMeSer)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C67H85N17O13/c1-37(2)26-49(59(90)77-48(14-8-24-72-67(69)70)66(97)84-25-9-15-54(84)63(94)74-34-56(68)87)78-61(92)51(29-39-16-19-40-10-4-5-11-41(40)27-39)79-60(91)50(28-38-17-20-44(86)21-18-38)81-64(95)55(35-85)83(3)65(96)53(30-42-32-73-46-13-7-6-12-45(42)46)82-62(93)52(31-43-33-71-36-75-43)80-58(89)47-22-23-57(88)76-47/h4-7,10-13,16-21,27,32-33,36-37,47-55,73,85-86H,8-9,14-15,22-26,28-31,34-35H2,1-3H3,(H2,68,87)(H,71,75)(H,74,94)(H,76,88)(H,77,90)(H,78,92)(H,79,91)(H,80,89)(H,81,95)(H,82,93)(H4,69,70,72)/t47-,48-,49-,50-,51+,52-,53-,54-,55-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


Article DOI: 10.1021/jm00055a007
BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair