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BDBM86506 CAS_0::NSC_0::[D-Tyr6,(S)-Apa11-2Cl,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)c1ccccc1Cl)C(N)=O

InChI Key: InChIKey=QDHRWOLOCYBHBS-LQEDWQRESA-O

Data: 3 KI

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 = 86506   
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
BRS3


(Homo sapiens (Human))
BDBM86506
PNG
(CAS_0 | NSC_0 | [D-Tyr6,(S)-Apa11-2Cl,Phe13,Nle14]...)
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)c1ccccc1Cl)C(N)=O |r|
Show InChI InChI=1S/C62H79ClN16O10/c1-5-6-19-47(56(66)83)72-61(88)51(28-37-14-8-7-9-15-37)78-79(67)53(30-40-33-68-34-70-40)76-54(82)31-49(43-17-10-12-18-44(43)63)74-62(89)55(35(2)3)77-57(84)36(4)71-60(87)50(29-39-32-69-46-20-13-11-16-42(39)46)75-59(86)48(25-26-52(65)81)73-58(85)45(64)27-38-21-23-41(80)24-22-38/h7-18,20-24,32-36,45,47-51,53,55,69H,5-6,19,25-31,64H2,1-4H3,(H14-,65,66,67,68,70,71,72,73,74,75,76,77,78,80,81,82,83,84,85,86,87,88,89)/p+1/t36-,45+,47-,48-,49-,50-,51-,53+,55-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
85n/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
Gastrin-Releasing peptide


(Homo sapiens (Human))
BDBM86506
PNG
(CAS_0 | NSC_0 | [D-Tyr6,(S)-Apa11-2Cl,Phe13,Nle14]...)
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)c1ccccc1Cl)C(N)=O |r|
Show InChI InChI=1S/C62H79ClN16O10/c1-5-6-19-47(56(66)83)72-61(88)51(28-37-14-8-7-9-15-37)78-79(67)53(30-40-33-68-34-70-40)76-54(82)31-49(43-17-10-12-18-44(43)63)74-62(89)55(35(2)3)77-57(84)36(4)71-60(87)50(29-39-32-69-46-20-13-11-16-42(39)46)75-59(86)48(25-26-52(65)81)73-58(85)45(64)27-38-21-23-41(80)24-22-38/h7-18,20-24,32-36,45,47-51,53,55,69H,5-6,19,25-31,64H2,1-4H3,(H14-,65,66,67,68,70,71,72,73,74,75,76,77,78,80,81,82,83,84,85,86,87,88,89)/p+1/t36-,45+,47-,48-,49-,50-,51-,53+,55-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
398n/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))
BDBM86506
PNG
(CAS_0 | NSC_0 | [D-Tyr6,(S)-Apa11-2Cl,Phe13,Nle14]...)
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)c1ccccc1Cl)C(N)=O |r|
Show InChI InChI=1S/C62H79ClN16O10/c1-5-6-19-47(56(66)83)72-61(88)51(28-37-14-8-7-9-15-37)78-79(67)53(30-40-33-68-34-70-40)76-54(82)31-49(43-17-10-12-18-44(43)63)74-62(89)55(35(2)3)77-57(84)36(4)71-60(87)50(29-39-32-69-46-20-13-11-16-42(39)46)75-59(86)48(25-26-52(65)81)73-58(85)45(64)27-38-21-23-41(80)24-22-38/h7-18,20-24,32-36,45,47-51,53,55,69H,5-6,19,25-31,64H2,1-4H3,(H14-,65,66,67,68,70,71,72,73,74,75,76,77,78,80,81,82,83,84,85,86,87,88,89)/p+1/t36-,45+,47-,48-,49-,50-,51-,53+,55-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.89E+3n/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