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BDBM50019410 CHEMBL3290094

SMILES: CCc1c(nn(c1-c1c(OC)cccc1OC)-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O

InChI Key: InChIKey=WZQNVNSPKOSEAU-MHZLTWQESA-N

Data: 1 KI  1 EC50

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 2 hits for monomerid = 50019410   
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
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019410
PNG
(CHEMBL3290094)
Show SMILES CCc1c(nn(c1-c1c(OC)cccc1OC)-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r,wU:31.35,(24.97,-8.62,;24.81,-10.16,;23.41,-10.78,;22.07,-10.01,;20.93,-11.04,;21.56,-12.45,;23.09,-12.29,;24.43,-13.78,;23.95,-15.24,;22.44,-15.56,;21.97,-17.03,;24.98,-16.39,;26.49,-16.06,;26.96,-14.6,;25.93,-13.46,;26.41,-11.99,;27.91,-11.67,;20.55,-14.18,;21.32,-15.52,;20.55,-16.85,;19.01,-16.85,;18.24,-15.52,;16.7,-15.52,;15.93,-14.18,;14.39,-14.18,;16.7,-12.85,;18.24,-12.85,;19.01,-14.18,;21.91,-8.48,;23.16,-7.58,;20.51,-7.85,;20.34,-6.32,;18.94,-5.7,;17.69,-6.6,;16.28,-5.97,;16.12,-4.44,;17.37,-3.54,;18.78,-4.16,;21.59,-5.42,;21.43,-3.89,;23,-6.04,)|
Show InChI InChI=1S/C31H33ClN4O5/c1-4-20-28(30(37)34-27(31(38)39)18-9-6-5-7-10-18)35-36(23-15-16-33-22-17-19(32)13-14-21(22)23)29(20)26-24(40-2)11-8-12-25(26)41-3/h8,11-18,27H,4-7,9-10H2,1-3H3,(H,34,37)(H,38,39)/t27-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.18E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019410
PNG
(CHEMBL3290094)
Show SMILES CCc1c(nn(c1-c1c(OC)cccc1OC)-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r,wU:31.35,(24.97,-8.62,;24.81,-10.16,;23.41,-10.78,;22.07,-10.01,;20.93,-11.04,;21.56,-12.45,;23.09,-12.29,;24.43,-13.78,;23.95,-15.24,;22.44,-15.56,;21.97,-17.03,;24.98,-16.39,;26.49,-16.06,;26.96,-14.6,;25.93,-13.46,;26.41,-11.99,;27.91,-11.67,;20.55,-14.18,;21.32,-15.52,;20.55,-16.85,;19.01,-16.85,;18.24,-15.52,;16.7,-15.52,;15.93,-14.18,;14.39,-14.18,;16.7,-12.85,;18.24,-12.85,;19.01,-14.18,;21.91,-8.48,;23.16,-7.58,;20.51,-7.85,;20.34,-6.32,;18.94,-5.7,;17.69,-6.6,;16.28,-5.97,;16.12,-4.44,;17.37,-3.54,;18.78,-4.16,;21.59,-5.42,;21.43,-3.89,;23,-6.04,)|
Show InChI InChI=1S/C31H33ClN4O5/c1-4-20-28(30(37)34-27(31(38)39)18-9-6-5-7-10-18)35-36(23-15-16-33-22-17-19(32)13-14-21(22)23)29(20)26-24(40-2)11-8-12-25(26)41-3/h8,11-18,27H,4-7,9-10H2,1-3H3,(H,34,37)(H,38,39)/t27-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 94n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at rat NTS2 stably expressed in CHOK1 cells assessed as induction of calcium release by FLIPR assay


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair