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BDBM86508 CAS_0::NSC_0::[D-Tyr6,NAlpha-acetyl-Dap11,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(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)Cc1ccc(O)cc1)C(C)C)NC(C)=O)C(N)=O

InChI Key: InChIKey=PVTJKYBWSFRTNM-QNSUXQIDSA-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 = 86508   
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))
BDBM86508
PNG
(CAS_0 | NSC_0 | [D-Tyr6,NAlpha-acetyl-Dap11,Phe13,...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(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)Cc1ccc(O)cc1)C(C)C)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C58H79N17O11/c1-6-7-16-43(51(61)79)69-56(84)46(25-35-13-9-8-10-14-35)74-75(62)49(27-38-29-63-31-66-38)72-57(85)47(68-34(5)76)30-65-58(86)50(32(2)3)73-52(80)33(4)67-55(83)45(26-37-28-64-42-17-12-11-15-40(37)42)71-54(82)44(22-23-48(60)78)70-53(81)41(59)24-36-18-20-39(77)21-19-36/h8-15,17-21,28-29,31-33,41,43-47,49-50,64H,6-7,16,22-27,30,59H2,1-5H3,(H15-,60,61,62,63,65,66,67,68,69,70,71,72,73,74,76,77,78,79,80,81,82,83,84,85,86)/p+1/t33-,41+,43-,44-,45-,46-,47?,49+,50-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/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))
BDBM86508
PNG
(CAS_0 | NSC_0 | [D-Tyr6,NAlpha-acetyl-Dap11,Phe13,...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(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)Cc1ccc(O)cc1)C(C)C)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C58H79N17O11/c1-6-7-16-43(51(61)79)69-56(84)46(25-35-13-9-8-10-14-35)74-75(62)49(27-38-29-63-31-66-38)72-57(85)47(68-34(5)76)30-65-58(86)50(32(2)3)73-52(80)33(4)67-55(83)45(26-37-28-64-42-17-12-11-15-40(37)42)71-54(82)44(22-23-48(60)78)70-53(81)41(59)24-36-18-20-39(77)21-19-36/h8-15,17-21,28-29,31-33,41,43-47,49-50,64H,6-7,16,22-27,30,59H2,1-5H3,(H15-,60,61,62,63,65,66,67,68,69,70,71,72,73,74,76,77,78,79,80,81,82,83,84,85,86)/p+1/t33-,41+,43-,44-,45-,46-,47?,49+,50-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
15.8n/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))
BDBM86508
PNG
(CAS_0 | NSC_0 | [D-Tyr6,NAlpha-acetyl-Dap11,Phe13,...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(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)Cc1ccc(O)cc1)C(C)C)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C58H79N17O11/c1-6-7-16-43(51(61)79)69-56(84)46(25-35-13-9-8-10-14-35)74-75(62)49(27-38-29-63-31-66-38)72-57(85)47(68-34(5)76)30-65-58(86)50(32(2)3)73-52(80)33(4)67-55(83)45(26-37-28-64-42-17-12-11-15-40(37)42)71-54(82)44(22-23-48(60)78)70-53(81)41(59)24-36-18-20-39(77)21-19-36/h8-15,17-21,28-29,31-33,41,43-47,49-50,64H,6-7,16,22-27,30,59H2,1-5H3,(H15-,60,61,62,63,65,66,67,68,69,70,71,72,73,74,76,77,78,79,80,81,82,83,84,85,86)/p+1/t33-,41+,43-,44-,45-,46-,47?,49+,50-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
89n/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