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BDBM85482 DPhe6-Bn(6-13)hexylamide

SMILES: CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C

InChI Key: InChIKey=QSJJMKMLUAPFCT-QPHOFLGJSA-N

Data: 4 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 4 hits for monomerid = 85482   
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
Bombesin 4


(Frog)
BDBM85482
PNG
(DPhe6-Bn(6-13)hexylamide)
Show SMILES CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C53H77N13O9/c1-7-8-9-15-22-57-49(71)41(23-31(2)3)64-52(74)43(26-36-28-56-30-60-36)62-45(68)29-59-53(75)46(32(4)5)66-47(69)33(6)61-51(73)42(25-35-27-58-39-19-14-13-18-37(35)39)65-50(72)40(20-21-44(55)67)63-48(70)38(54)24-34-16-11-10-12-17-34/h10-14,16-19,27-28,30-33,38,40-43,46,58H,7-9,15,20-26,29,54H2,1-6H3,(H2,55,67)(H,56,60)(H,57,71)(H,59,75)(H,61,73)(H,62,68)(H,63,70)(H,64,74)(H,65,72)(H,66,69)/t33-,38+,40-,41-,42-,43-,46-/m0/s1
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85482
PNG
(DPhe6-Bn(6-13)hexylamide)
Show SMILES CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C53H77N13O9/c1-7-8-9-15-22-57-49(71)41(23-31(2)3)64-52(74)43(26-36-28-56-30-60-36)62-45(68)29-59-53(75)46(32(4)5)66-47(69)33(6)61-51(73)42(25-35-27-58-39-19-14-13-18-37(35)39)65-50(72)40(20-21-44(55)67)63-48(70)38(54)24-34-16-11-10-12-17-34/h10-14,16-19,27-28,30-33,38,40-43,46,58H,7-9,15,20-26,29,54H2,1-6H3,(H2,55,67)(H,56,60)(H,57,71)(H,59,75)(H,61,73)(H,62,68)(H,63,70)(H,64,74)(H,65,72)(H,66,69)/t33-,38+,40-,41-,42-,43-,46-/m0/s1
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
BRS3


(Homo sapiens (Human))
BDBM85482
PNG
(DPhe6-Bn(6-13)hexylamide)
Show SMILES CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C53H77N13O9/c1-7-8-9-15-22-57-49(71)41(23-31(2)3)64-52(74)43(26-36-28-56-30-60-36)62-45(68)29-59-53(75)46(32(4)5)66-47(69)33(6)61-51(73)42(25-35-27-58-39-19-14-13-18-37(35)39)65-50(72)40(20-21-44(55)67)63-48(70)38(54)24-34-16-11-10-12-17-34/h10-14,16-19,27-28,30-33,38,40-43,46,58H,7-9,15,20-26,29,54H2,1-6H3,(H2,55,67)(H,56,60)(H,57,71)(H,59,75)(H,61,73)(H,62,68)(H,63,70)(H,64,74)(H,65,72)(H,66,69)/t33-,38+,40-,41-,42-,43-,46-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
NMB


(RAT)
BDBM85482
PNG
(DPhe6-Bn(6-13)hexylamide)
Show SMILES CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C53H77N13O9/c1-7-8-9-15-22-57-49(71)41(23-31(2)3)64-52(74)43(26-36-28-56-30-60-36)62-45(68)29-59-53(75)46(32(4)5)66-47(69)33(6)61-51(73)42(25-35-27-58-39-19-14-13-18-37(35)39)65-50(72)40(20-21-44(55)67)63-48(70)38(54)24-34-16-11-10-12-17-34/h10-14,16-19,27-28,30-33,38,40-43,46,58H,7-9,15,20-26,29,54H2,1-6H3,(H2,55,67)(H,56,60)(H,57,71)(H,59,75)(H,61,73)(H,62,68)(H,63,70)(H,64,74)(H,65,72)(H,66,69)/t33-,38+,40-,41-,42-,43-,46-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair