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BDBM86502 CAS_0::NSC_0::[D-Tyr6,Beta-Ala11,Phe13,Nle14]Bn(6-14)

SMILES: CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=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(N)=O

InChI Key: InChIKey=GHNLDCGDRKOMDH-WFQHPHTQSA-N

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 = 86502   
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))
BDBM86502
PNG
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Ala11,Phe13,Nle14]Bn(...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=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(N)=O |r|
Show InChI InChI=1S/C57H76N14O11/c1-5-6-15-42(50(60)75)67-55(80)44(26-34-12-8-7-9-13-34)69-56(81)46(28-37-30-61-31-64-37)66-48(74)23-24-62-57(82)49(32(2)3)71-51(76)33(4)65-54(79)45(27-36-29-63-41-16-11-10-14-39(36)41)70-53(78)43(21-22-47(59)73)68-52(77)40(58)25-35-17-19-38(72)20-18-35/h7-14,16-20,29-33,40,42-46,49,63,72H,5-6,15,21-28,58H2,1-4H3,(H2,59,73)(H2,60,75)(H,61,64)(H,62,82)(H,65,79)(H,66,74)(H,67,80)(H,68,77)(H,69,81)(H,70,78)(H,71,76)/t33-,40+,42-,43-,44-,45-,46-,49-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/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))
BDBM86502
PNG
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Ala11,Phe13,Nle14]Bn(...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=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(N)=O |r|
Show InChI InChI=1S/C57H76N14O11/c1-5-6-15-42(50(60)75)67-55(80)44(26-34-12-8-7-9-13-34)69-56(81)46(28-37-30-61-31-64-37)66-48(74)23-24-62-57(82)49(32(2)3)71-51(76)33(4)65-54(79)45(27-36-29-63-41-16-11-10-14-39(36)41)70-53(78)43(21-22-47(59)73)68-52(77)40(58)25-35-17-19-38(72)20-18-35/h7-14,16-20,29-33,40,42-46,49,63,72H,5-6,15,21-28,58H2,1-4H3,(H2,59,73)(H2,60,75)(H,61,64)(H,62,82)(H,65,79)(H,66,74)(H,67,80)(H,68,77)(H,69,81)(H,70,78)(H,71,76)/t33-,40+,42-,43-,44-,45-,46-,49-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.820n/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))
BDBM86502
PNG
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Ala11,Phe13,Nle14]Bn(...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=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(N)=O |r|
Show InChI InChI=1S/C57H76N14O11/c1-5-6-15-42(50(60)75)67-55(80)44(26-34-12-8-7-9-13-34)69-56(81)46(28-37-30-61-31-64-37)66-48(74)23-24-62-57(82)49(32(2)3)71-51(76)33(4)65-54(79)45(27-36-29-63-41-16-11-10-14-39(36)41)70-53(78)43(21-22-47(59)73)68-52(77)40(58)25-35-17-19-38(72)20-18-35/h7-14,16-20,29-33,40,42-46,49,63,72H,5-6,15,21-28,58H2,1-4H3,(H2,59,73)(H2,60,75)(H,61,64)(H,62,82)(H,65,79)(H,66,74)(H,67,80)(H,68,77)(H,69,81)(H,70,78)(H,71,76)/t33-,40+,42-,43-,44-,45-,46-,49-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.90n/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