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BDBM86501 CAS_0::NSC_0::[D-Tyr6,(R)-Apa11-3Cl,Phe13,Nle14]Bn(6-14)

SMILES: CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[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)c1cccc(Cl)c1)C(N)=O

InChI Key: InChIKey=FEDDFRRPRHWJRD-NTQFTXLASA-N

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 = 86501   
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))
BDBM86501
PNG
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11-3Cl,Phe13,Nle14]...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[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)c1cccc(Cl)c1)C(N)=O |r|
Show InChI InChI=1S/C63H79ClN14O11/c1-5-6-18-47(56(67)82)73-61(87)50(27-37-13-8-7-9-14-37)76-62(88)52(30-42-33-68-34-70-42)72-54(81)31-49(39-15-12-16-41(64)28-39)75-63(89)55(35(2)3)78-57(83)36(4)71-60(86)51(29-40-32-69-46-19-11-10-17-44(40)46)77-59(85)48(24-25-53(66)80)74-58(84)45(65)26-38-20-22-43(79)23-21-38/h7-17,19-23,28,32-36,45,47-52,55,69,79H,5-6,18,24-27,29-31,65H2,1-4H3,(H2,66,80)(H2,67,82)(H,68,70)(H,71,86)(H,72,81)(H,73,87)(H,74,84)(H,75,89)(H,76,88)(H,77,85)(H,78,83)/t36-,45+,47-,48-,49-,50-,51-,52-,55-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
107n/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))
BDBM86501
PNG
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11-3Cl,Phe13,Nle14]...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[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)c1cccc(Cl)c1)C(N)=O |r|
Show InChI InChI=1S/C63H79ClN14O11/c1-5-6-18-47(56(67)82)73-61(87)50(27-37-13-8-7-9-14-37)76-62(88)52(30-42-33-68-34-70-42)72-54(81)31-49(39-15-12-16-41(64)28-39)75-63(89)55(35(2)3)78-57(83)36(4)71-60(86)51(29-40-32-69-46-19-11-10-17-44(40)46)77-59(85)48(24-25-53(66)80)74-58(84)45(65)26-38-20-22-43(79)23-21-38/h7-17,19-23,28,32-36,45,47-52,55,69,79H,5-6,18,24-27,29-31,65H2,1-4H3,(H2,66,80)(H2,67,82)(H,68,70)(H,71,86)(H,72,81)(H,73,87)(H,74,84)(H,75,89)(H,76,88)(H,77,85)(H,78,83)/t36-,45+,47-,48-,49-,50-,51-,52-,55-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.51E+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
Neuromedin B


(Homo sapiens (Human))
BDBM86501
PNG
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11-3Cl,Phe13,Nle14]...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[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)c1cccc(Cl)c1)C(N)=O |r|
Show InChI InChI=1S/C63H79ClN14O11/c1-5-6-18-47(56(67)82)73-61(87)50(27-37-13-8-7-9-14-37)76-62(88)52(30-42-33-68-34-70-42)72-54(81)31-49(39-15-12-16-41(64)28-39)75-63(89)55(35(2)3)78-57(83)36(4)71-60(86)51(29-40-32-69-46-19-11-10-17-44(40)46)77-59(85)48(24-25-53(66)80)74-58(84)45(65)26-38-20-22-43(79)23-21-38/h7-17,19-23,28,32-36,45,47-52,55,69,79H,5-6,18,24-27,29-31,65H2,1-4H3,(H2,66,80)(H2,67,82)(H,68,70)(H,71,86)(H,72,81)(H,73,87)(H,74,84)(H,75,89)(H,76,88)(H,77,85)(H,78,83)/t36-,45+,47-,48-,49-,50-,51-,52-,55-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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