Found 2 hits Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 2' and Ligand = 'BDBM50075273' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50075273
((2R,3S)-N-(5-Amino-[1,3]dioxan-2-ylmethyl)-3-(1H-i...)Show SMILES C[C@H]([C@@H](N1CCN(C2CCCN(C2)c2ccccc2)C1=O)C(=O)N(C)C[C@H]1OC[C@H](N)CO1)c1c[nH]c2ccccc12 |wU:2.2,26.28,wD:29.32,1.0,(-1.79,4.28,;-1.77,2.74,;-.43,1.97,;.89,2.75,;.87,4.29,;3.54,4.3,;3.55,2.77,;4.9,2.04,;4.96,.5,;6.32,-.22,;7.63,.57,;7.58,2.11,;6.22,2.84,;8.89,2.93,;8.83,4.47,;10.14,5.28,;11.5,4.54,;11.54,3,;10.24,2.19,;2.22,2,;2.24,.46,;-.43,.44,;1.1,.43,;-1.21,-.89,;-2.75,-.87,;-.46,-2.22,;-1.24,-3.54,;-.47,-4.88,;-1.25,-6.21,;-2.8,-6.2,;-3.58,-7.51,;-3.56,-4.86,;-2.77,-3.53,;-3.1,1.96,;-3.09,.43,;-4.42,-.36,;-5.75,.41,;-7.08,-.36,;-8.43,.41,;-8.43,1.96,;-7.08,2.73,;-5.75,1.96,)| Show InChI InChI=1S/C32H42N6O4/c1-22(27-17-34-28-13-7-6-12-26(27)28)30(31(39)35(2)19-29-41-20-23(33)21-42-29)38-16-15-37(32(38)40)25-11-8-14-36(18-25)24-9-4-3-5-10-24/h3-7,9-10,12-13,17,22-23,25,29-30,34H,8,11,14-16,18-21,33H2,1-2H3/t22-,23-,25?,29-,30+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity of the compound was evaluated against human Somatostatin receptor type 2 in experiment 1 |
Bioorg Med Chem Lett 9: 491-6 (1999)
BindingDB Entry DOI: 10.7270/Q2FB5235 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50075273
((2R,3S)-N-(5-Amino-[1,3]dioxan-2-ylmethyl)-3-(1H-i...)Show SMILES C[C@H]([C@@H](N1CCN(C2CCCN(C2)c2ccccc2)C1=O)C(=O)N(C)C[C@H]1OC[C@H](N)CO1)c1c[nH]c2ccccc12 |wU:2.2,26.28,wD:29.32,1.0,(-1.79,4.28,;-1.77,2.74,;-.43,1.97,;.89,2.75,;.87,4.29,;3.54,4.3,;3.55,2.77,;4.9,2.04,;4.96,.5,;6.32,-.22,;7.63,.57,;7.58,2.11,;6.22,2.84,;8.89,2.93,;8.83,4.47,;10.14,5.28,;11.5,4.54,;11.54,3,;10.24,2.19,;2.22,2,;2.24,.46,;-.43,.44,;1.1,.43,;-1.21,-.89,;-2.75,-.87,;-.46,-2.22,;-1.24,-3.54,;-.47,-4.88,;-1.25,-6.21,;-2.8,-6.2,;-3.58,-7.51,;-3.56,-4.86,;-2.77,-3.53,;-3.1,1.96,;-3.09,.43,;-4.42,-.36,;-5.75,.41,;-7.08,-.36,;-8.43,.41,;-8.43,1.96,;-7.08,2.73,;-5.75,1.96,)| Show InChI InChI=1S/C32H42N6O4/c1-22(27-17-34-28-13-7-6-12-26(27)28)30(31(39)35(2)19-29-41-20-23(33)21-42-29)38-16-15-37(32(38)40)25-11-8-14-36(18-25)24-9-4-3-5-10-24/h3-7,9-10,12-13,17,22-23,25,29-30,34H,8,11,14-16,18-21,33H2,1-2H3/t22-,23-,25?,29-,30+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity of the compound was evaluated against human Somatostatin receptor type 2 in experiment 1 |
Bioorg Med Chem Lett 9: 491-6 (1999)
BindingDB Entry DOI: 10.7270/Q2FB5235 |
More data for this
Ligand-Target Pair | |
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