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BDBM50409922 CHEMBL2092998

SMILES: C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CS)C(N)=O

InChI Key: InChIKey=PUMXIHXBTIALFY-LFENUTDDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409922   
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
G2/mitotic-specific cyclin B1


(Rattus norvegicus)
BDBM50409922
PNG
(CHEMBL2092998)
Show SMILES C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C65H97N23O27S5/c1-27(75-61(107)42(24-118)86-54(100)29(3)76-64(110)44-5-4-12-88(44)65(111)38(14-31-19-71-26-73-31)83-60(106)39(21-89)84-63(109)43(25-119)87-62(108)41(23-117)77-49(94)20-72-48(93)18-66)52(98)74-28(2)53(99)79-35(15-46(68)91)58(104)81-36(16-47(69)92)57(103)78-33(10-11-45(67)90)55(101)82-37(17-50(95)96)59(105)80-34(56(102)85-40(22-116)51(70)97)13-30-6-8-32(9-7-30)115-120(112,113)114/h6-9,19,26-29,33-44,89,116-119H,4-5,10-18,20-25,66H2,1-3H3,(H2,67,90)(H2,68,91)(H2,69,92)(H2,70,97)(H,71,73)(H,72,93)(H,74,98)(H,75,107)(H,76,110)(H,77,94)(H,78,103)(H,79,99)(H,80,105)(H,81,104)(H,82,101)(H,83,106)(H,84,109)(H,85,102)(H,86,100)(H,87,108)(H,95,96)(H,112,113,114)/t27-,28-,29-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 836n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of rat Nicotinic acetylcholine receptor alpha7 (nAChR) in Xenopus Oocytes


J Med Chem 47: 1234-41 (2004)


Article DOI: 10.1021/jm031010o
BindingDB Entry DOI: 10.7270/Q2RN378M
More data for this
Ligand-Target Pair