new BindingDB logo
myBDB logout

BDBM144789 US8952128, 48

SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)NCCCS(=O)(=O)C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1

InChI Key: InChIKey=LASBLEBPDOHKAM-NJMRQBQQNA-N

Data: 2 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 2 hits for monomerid = 144789   
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
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM144789
PNG
(US8952128, 48)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)NCCCS(=O)(=O)C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |r|
Show InChI InChI=1/C79H103FN16O11S/c1-48(97)70-78(105)94-64(41-51-29-31-55(80)32-30-51)71(98)85-34-14-12-25-61(84-36-17-37-108(106,107)47-52-38-58-57-23-15-27-60-69(57)54(45-88-60)43-68(58)96(2)46-52)72(99)89-63(28-16-35-86-79(82)83)73(100)91-65(39-49-18-5-3-6-19-49)75(102)92-66(40-50-20-7-4-8-21-50)76(103)93-67(42-53-44-87-59-24-10-9-22-56(53)59)77(104)90-62(74(101)95-70)26-11-13-33-81/h3-10,15,18-24,27,29-32,44-45,48,52,58,61-68,70,84,87-88,97H,11-14,16-17,25-26,28,33-43,46-47,81H2,1-2H3,(H,85,98)(H,89,99)(H,90,104)(H,91,100)(H,92,102)(H,93,103)(H,94,105)(H,95,101)(H4,82,83,86)/t48-,52-,58-,61-,62+,63+,64+,65+,66+,67-,68-,70+/s2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.25 -13.1n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM144789
PNG
(US8952128, 48)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)NCCCS(=O)(=O)C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |r|
Show InChI InChI=1/C79H103FN16O11S/c1-48(97)70-78(105)94-64(41-51-29-31-55(80)32-30-51)71(98)85-34-14-12-25-61(84-36-17-37-108(106,107)47-52-38-58-57-23-15-27-60-69(57)54(45-88-60)43-68(58)96(2)46-52)72(99)89-63(28-16-35-86-79(82)83)73(100)91-65(39-49-18-5-3-6-19-49)75(102)92-66(40-50-20-7-4-8-21-50)76(103)93-67(42-53-44-87-59-24-10-9-22-56(53)59)77(104)90-62(74(101)95-70)26-11-13-33-81/h3-10,15,18-24,27,29-32,44-45,48,52,58,61-68,70,84,87-88,97H,11-14,16-17,25-26,28,33-43,46-47,81H2,1-2H3,(H,85,98)(H,89,99)(H,90,104)(H,91,100)(H,92,102)(H,93,103)(H,94,105)(H,95,101)(H4,82,83,86)/t48-,52-,58-,61-,62+,63+,64+,65+,66+,67-,68-,70+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
19.4n/an/an/an/an/an/a7.6n/a



Ipsen Pharma S.A.S.

US Patent


Assay Description
The affinity of a test compound for the human dopamine receptor subtype hDRD2 was determined by radioligand binding assays in CHO-K1 cells stably tra...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair