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BDBM50175599 (4-amino-3-iodo)-D-Phe-c[Cys-(3-iodo)-Tyr-D-Trp-Lys-Val-Cys]-Thr-NH2::CHEMBL264133

SMILES: CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(N)c(I)c1

InChI Key: InChIKey=ISZMJWBQCGWNNM-WXLOQYKYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50175599   
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 5


(Homo sapiens (Human))
BDBM50175599
PNG
((4-amino-3-iodo)-D-Phe-c[Cys-(3-iodo)-Tyr-D-Trp-Ly...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(N)c(I)c1
Show InChI InChI=1S/C50H66I2N12O10S2/c1-24(2)41-50(74)62-39(49(73)64-42(25(3)65)43(56)67)23-76-75-22-38(61-44(68)33(55)18-26-11-13-32(54)30(51)16-26)48(72)59-36(19-27-12-14-40(66)31(52)17-27)46(70)60-37(20-28-21-57-34-9-5-4-8-29(28)34)47(71)58-35(45(69)63-41)10-6-7-15-53/h4-5,8-9,11-14,16-17,21,24-25,33,35-39,41-42,57,65-66H,6-7,10,15,18-20,22-23,53-55H2,1-3H3,(H2,56,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,74)(H,63,69)(H,64,73)/t25-,33+,35+,36+,37-,38+,39-,41-,42+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.650n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibitory concentration against human somatostatin receptor type 5 in CHO-K1 cells


J Med Chem 48: 6643-52 (2005)


Article DOI: 10.1021/jm050376t
BindingDB Entry DOI: 10.7270/Q2D50NRS
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50175599
PNG
((4-amino-3-iodo)-D-Phe-c[Cys-(3-iodo)-Tyr-D-Trp-Ly...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(N)c(I)c1
Show InChI InChI=1S/C50H66I2N12O10S2/c1-24(2)41-50(74)62-39(49(73)64-42(25(3)65)43(56)67)23-76-75-22-38(61-44(68)33(55)18-26-11-13-32(54)30(51)16-26)48(72)59-36(19-27-12-14-40(66)31(52)17-27)46(70)60-37(20-28-21-57-34-9-5-4-8-29(28)34)47(71)58-35(45(69)63-41)10-6-7-15-53/h4-5,8-9,11-14,16-17,21,24-25,33,35-39,41-42,57,65-66H,6-7,10,15,18-20,22-23,53-55H2,1-3H3,(H2,56,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,74)(H,63,69)(H,64,73)/t25-,33+,35+,36+,37-,38+,39-,41-,42+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.630n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibitory concentration against human somatostatin receptor type 2 in CC531 cells


J Med Chem 48: 6643-52 (2005)


Article DOI: 10.1021/jm050376t
BindingDB Entry DOI: 10.7270/Q2D50NRS
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50175599
PNG
((4-amino-3-iodo)-D-Phe-c[Cys-(3-iodo)-Tyr-D-Trp-Ly...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(N)c(I)c1
Show InChI InChI=1S/C50H66I2N12O10S2/c1-24(2)41-50(74)62-39(49(73)64-42(25(3)65)43(56)67)23-76-75-22-38(61-44(68)33(55)18-26-11-13-32(54)30(51)16-26)48(72)59-36(19-27-12-14-40(66)31(52)17-27)46(70)60-37(20-28-21-57-34-9-5-4-8-29(28)34)47(71)58-35(45(69)63-41)10-6-7-15-53/h4-5,8-9,11-14,16-17,21,24-25,33,35-39,41-42,57,65-66H,6-7,10,15,18-20,22-23,53-55H2,1-3H3,(H2,56,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,74)(H,63,69)(H,64,73)/t25-,33+,35+,36+,37-,38+,39-,41-,42+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibitory concentration against human somatostatin receptor type 3 in CHO-K1 cells


J Med Chem 48: 6643-52 (2005)


Article DOI: 10.1021/jm050376t
BindingDB Entry DOI: 10.7270/Q2D50NRS
More data for this
Ligand-Target Pair