BDBM50051568 (3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-15-(4-hydroxy-benzyl)-12-(1H-indol-3-ylmethyl)-6-isopropyl-1,18-dimethyl-1,4,7,10,13,16hexaaza-cyclooctadecane-2,5,8,11,14,17-hexaone::CHEMBL311695::seglitide

SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O

InChI Key InChIKey=NPJIOCBFOAHEDO-AVWFULIKSA-N

Data  47 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50051568   

TargetSomatostatin receptor type 2(Homo sapiens (Human))
Novartis Pharma

Curated by PDSP Ki Database
LigandPNGBDBM50051568((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Affinity DataKi:  0.0200nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Novartis Pharma

Curated by PDSP Ki Database
LigandPNGBDBM50051568((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Affinity DataKi:  0.0794nMAssay Description:Binding affinity towards human Somatostatin receptor type 2 (sst2) using Tyr11-[125I]-SRIF as radioligand was determined in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Novartis Pharma

Curated by PDSP Ki Database
LigandPNGBDBM50051568((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Affinity DataKi:  0.0800nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Novartis Pharma

Curated by PDSP Ki Database
LigandPNGBDBM50051568((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Affinity DataKi:  0.100nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Novartis Pharma

Curated by PDSP Ki Database
LigandPNGBDBM50051568((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Affinity DataKi:  0.100nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Novartis Pharma

Curated by PDSP Ki Database
LigandPNGBDBM50051568((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Affinity DataKi:  0.100nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Novartis Pharma

Curated by PDSP Ki Database
LigandPNGBDBM50051568((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Affinity DataKi:  0.110nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Novartis Pharma

Curated by PDSP Ki Database
LigandPNGBDBM50051568((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Affinity DataKi:  0.150nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Novartis Pharma

Curated by PDSP Ki Database
LigandPNGBDBM50051568((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Affinity DataKi:  0.150nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Novartis Pharma

Curated by PDSP Ki Database
LigandPNGBDBM50051568((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Affinity DataKi:  0.150nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Novartis Pharma

Curated by PDSP Ki Database
LigandPNGBDBM50051568((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Affinity DataKi:  0.150nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Novartis Pharma

Curated by PDSP Ki Database
LigandPNGBDBM50051568((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Affinity DataKi:  0.150nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Novartis Pharma

Curated by PDSP Ki Database
LigandPNGBDBM50051568((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Affinity DataKi:  0.230nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Novartis Pharma

Curated by PDSP Ki Database
LigandPNGBDBM50051568((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Affinity DataKi:  0.240nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSomatostatin receptor type 2(Homo sapiens (Human))
Novartis Pharma

Curated by PDSP Ki Database
LigandPNGBDBM50051568((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Affinity DataIC50:  1.60nMAssay Description:Binding affinity to human sst2 by in vitro receptor autoradiography assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed