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BDBM86511 CAS_0::NSC_0::[D-Tyr6,Beta-Asp(BzlAmd)11,Phe13,Nle14]Bn(6-14)

SMILES: CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=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)Cc1ccc(O)cc1)C(C)C)C(=O)Nc1ccccc1)C(N)=O

InChI Key: InChIKey=IRTDXBKXWQCWQF-MVFWZTRLSA-O

Data: 3 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 3 hits for monomerid = 86511   
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
Gastrin-Releasing peptide


(Homo sapiens (Human))
BDBM86511
PNG
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Asp(BzlAmd)11,Phe13,N...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=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)Cc1ccc(O)cc1)C(C)C)C(=O)Nc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C63H81N17O11/c1-5-6-20-47(56(66)84)73-62(90)51(29-38-15-9-7-10-16-38)79-80(67)53(31-42-34-68-35-70-42)77-54(83)32-50(61(89)72-41-17-11-8-12-18-41)76-63(91)55(36(2)3)78-57(85)37(4)71-60(88)49(30-40-33-69-46-21-14-13-19-44(40)46)75-59(87)48(26-27-52(65)82)74-58(86)45(64)28-39-22-24-43(81)25-23-39/h7-19,21-25,33-37,45,47-51,53,55,69H,5-6,20,26-32,64H2,1-4H3,(H15-,65,66,67,68,70,71,72,73,74,75,76,77,78,79,81,82,83,84,85,86,87,88,89,90,91)/p+1/t37-,45+,47-,48-,49-,50+,51-,53+,55-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
397n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 1161-70 (2004)


Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ
More data for this
Ligand-Target Pair
Neuromedin B


(Homo sapiens (Human))
BDBM86511
PNG
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Asp(BzlAmd)11,Phe13,N...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=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)Cc1ccc(O)cc1)C(C)C)C(=O)Nc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C63H81N17O11/c1-5-6-20-47(56(66)84)73-62(90)51(29-38-15-9-7-10-16-38)79-80(67)53(31-42-34-68-35-70-42)77-54(83)32-50(61(89)72-41-17-11-8-12-18-41)76-63(91)55(36(2)3)78-57(85)37(4)71-60(88)49(30-40-33-69-46-21-14-13-19-44(40)46)75-59(87)48(26-27-52(65)82)74-58(86)45(64)28-39-22-24-43(81)25-23-39/h7-19,21-25,33-37,45,47-51,53,55,69H,5-6,20,26-32,64H2,1-4H3,(H15-,65,66,67,68,70,71,72,73,74,75,76,77,78,79,81,82,83,84,85,86,87,88,89,90,91)/p+1/t37-,45+,47-,48-,49-,50+,51-,53+,55-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
646n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 1161-70 (2004)


Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ
More data for this
Ligand-Target Pair
BRS3


(Homo sapiens (Human))
BDBM86511
PNG
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Asp(BzlAmd)11,Phe13,N...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=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)Cc1ccc(O)cc1)C(C)C)C(=O)Nc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C63H81N17O11/c1-5-6-20-47(56(66)84)73-62(90)51(29-38-15-9-7-10-16-38)79-80(67)53(31-42-34-68-35-70-42)77-54(83)32-50(61(89)72-41-17-11-8-12-18-41)76-63(91)55(36(2)3)78-57(85)37(4)71-60(88)49(30-40-33-69-46-21-14-13-19-44(40)46)75-59(87)48(26-27-52(65)82)74-58(86)45(64)28-39-22-24-43(81)25-23-39/h7-19,21-25,33-37,45,47-51,53,55,69H,5-6,20,26-32,64H2,1-4H3,(H15-,65,66,67,68,70,71,72,73,74,75,76,77,78,79,81,82,83,84,85,86,87,88,89,90,91)/p+1/t37-,45+,47-,48-,49-,50+,51-,53+,55-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
708n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 1161-70 (2004)


Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ
More data for this
Ligand-Target Pair