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BDBM86512 CAS_0::NSC_0::[D-Tyr6,(R)-Apa11,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)c1ccccc1)C(N)=O

InChI Key: InChIKey=MWLIHXSEUQIZDF-SWAAXBQCSA-O

Data: 3 KI

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

Found 3 hits for monomerid = 86512   
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))
BDBM86512
PNG
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11,Phe13,Nle14]Bn(6...)
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)c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C62H80N16O10/c1-5-6-20-47(56(65)82)71-61(87)51(29-38-15-9-7-10-16-38)77-78(66)53(31-42-34-67-35-69-42)75-54(81)32-49(40-17-11-8-12-18-40)73-62(88)55(36(2)3)76-57(83)37(4)70-60(86)50(30-41-33-68-46-21-14-13-19-44(41)46)74-59(85)48(26-27-52(64)80)72-58(84)45(63)28-39-22-24-43(79)25-23-39/h7-19,21-25,33-37,45,47-51,53,55,68H,5-6,20,26-32,63H2,1-4H3,(H14-,64,65,66,67,69,70,71,72,73,74,75,76,77,79,80,81,82,83,84,85,86,87,88)/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
2.80n/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))
BDBM86512
PNG
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11,Phe13,Nle14]Bn(6...)
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)c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C62H80N16O10/c1-5-6-20-47(56(65)82)71-61(87)51(29-38-15-9-7-10-16-38)77-78(66)53(31-42-34-67-35-69-42)75-54(81)32-49(40-17-11-8-12-18-40)73-62(88)55(36(2)3)76-57(83)37(4)70-60(86)50(30-41-33-68-46-21-14-13-19-44(41)46)74-59(85)48(26-27-52(64)80)72-58(84)45(63)28-39-22-24-43(79)25-23-39/h7-19,21-25,33-37,45,47-51,53,55,68H,5-6,20,26-32,63H2,1-4H3,(H14-,64,65,66,67,69,70,71,72,73,74,75,76,77,79,80,81,82,83,84,85,86,87,88)/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
151n/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))
BDBM86512
PNG
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11,Phe13,Nle14]Bn(6...)
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)c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C62H80N16O10/c1-5-6-20-47(56(65)82)71-61(87)51(29-38-15-9-7-10-16-38)77-78(66)53(31-42-34-67-35-69-42)75-54(81)32-49(40-17-11-8-12-18-40)73-62(88)55(36(2)3)76-57(83)37(4)70-60(86)50(30-41-33-68-46-21-14-13-19-44(41)46)74-59(85)48(26-27-52(64)80)72-58(84)45(63)28-39-22-24-43(79)25-23-39/h7-19,21-25,33-37,45,47-51,53,55,68H,5-6,20,26-32,63H2,1-4H3,(H14-,64,65,66,67,69,70,71,72,73,74,75,76,77,79,80,81,82,83,84,85,86,87,88)/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
2.40E+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