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BDBM50091650 Ala-Ser-Leu-Arg-His-Thi-Leu-Asn-Leu-Val-Thr-Arg-Gln-Arg-Tyr::CHEMBL430274

SMILES: CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccsc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=IFVFNTSUQVFIPC-ORNBHVQKSA-N

Data: 3 IC50

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 = 50091650   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50091650
PNG
(Ala-Ser-Leu-Arg-His-Thi-Leu-Asn-Leu-Val-Thr-Arg-Gl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccsc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C84H137N29O21S/c1-40(2)29-56(107-79(132)62(37-114)111-68(121)44(9)99-46(11)116)73(126)101-52(16-13-26-96-83(90)91)71(124)109-60(34-49-36-94-39-98-49)76(129)108-59(33-48-24-28-135-38-48)75(128)105-57(30-41(3)4)74(127)110-61(35-64(86)119)77(130)106-58(31-42(5)6)78(131)112-65(43(7)8)80(133)113-66(45(10)115)81(134)103-53(17-14-27-97-84(92)93)69(122)102-54(22-23-63(85)118)72(125)100-51(15-12-25-95-82(88)89)70(123)104-55(67(87)120)32-47-18-20-50(117)21-19-47/h18-21,24,28,36,38-45,51-62,65-66,114-115,117H,12-17,22-23,25-27,29-35,37H2,1-11H3,(H2,85,118)(H2,86,119)(H2,87,120)(H,94,98)(H,99,116)(H,100,125)(H,101,126)(H,102,122)(H,103,134)(H,104,123)(H,105,128)(H,106,130)(H,107,132)(H,108,129)(H,109,124)(H,110,127)(H,111,121)(H,112,131)(H,113,133)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t44-,45+,51-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61-,62-,65-,66-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 257n/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y receptor Y1 in SK-N-MC cell line


J Med Chem 43: 3420-7 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WCX
More data for this
Ligand-Target Pair
NPY2R


(RAT)
BDBM50091650
PNG
(Ala-Ser-Leu-Arg-His-Thi-Leu-Asn-Leu-Val-Thr-Arg-Gl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccsc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C84H137N29O21S/c1-40(2)29-56(107-79(132)62(37-114)111-68(121)44(9)99-46(11)116)73(126)101-52(16-13-26-96-83(90)91)71(124)109-60(34-49-36-94-39-98-49)76(129)108-59(33-48-24-28-135-38-48)75(128)105-57(30-41(3)4)74(127)110-61(35-64(86)119)77(130)106-58(31-42(5)6)78(131)112-65(43(7)8)80(133)113-66(45(10)115)81(134)103-53(17-14-27-97-84(92)93)69(122)102-54(22-23-63(85)118)72(125)100-51(15-12-25-95-82(88)89)70(123)104-55(67(87)120)32-47-18-20-50(117)21-19-47/h18-21,24,28,36,38-45,51-62,65-66,114-115,117H,12-17,22-23,25-27,29-35,37H2,1-11H3,(H2,85,118)(H2,86,119)(H2,87,120)(H,94,98)(H,99,116)(H,100,125)(H,101,126)(H,102,122)(H,103,134)(H,104,123)(H,105,128)(H,106,130)(H,107,132)(H,108,129)(H,109,124)(H,110,127)(H,111,121)(H,112,131)(H,113,133)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t44-,45+,51-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61-,62-,65-,66-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1n/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Antisecretory potency, affinity for intestinal PYY of rat jejunum by using short circuit current (SCC) method.


J Med Chem 43: 3420-7 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WCX
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50091650
PNG
(Ala-Ser-Leu-Arg-His-Thi-Leu-Asn-Leu-Val-Thr-Arg-Gl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccsc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C84H137N29O21S/c1-40(2)29-56(107-79(132)62(37-114)111-68(121)44(9)99-46(11)116)73(126)101-52(16-13-26-96-83(90)91)71(124)109-60(34-49-36-94-39-98-49)76(129)108-59(33-48-24-28-135-38-48)75(128)105-57(30-41(3)4)74(127)110-61(35-64(86)119)77(130)106-58(31-42(5)6)78(131)112-65(43(7)8)80(133)113-66(45(10)115)81(134)103-53(17-14-27-97-84(92)93)69(122)102-54(22-23-63(85)118)72(125)100-51(15-12-25-95-82(88)89)70(123)104-55(67(87)120)32-47-18-20-50(117)21-19-47/h18-21,24,28,36,38-45,51-62,65-66,114-115,117H,12-17,22-23,25-27,29-35,37H2,1-11H3,(H2,85,118)(H2,86,119)(H2,87,120)(H,94,98)(H,99,116)(H,100,125)(H,101,126)(H,102,122)(H,103,134)(H,104,123)(H,105,128)(H,106,130)(H,107,132)(H,108,129)(H,109,124)(H,110,127)(H,111,121)(H,112,131)(H,113,133)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t44-,45+,51-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61-,62-,65-,66-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.63n/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y receptor Y2 in SK-N-BE2 cell line


J Med Chem 43: 3420-7 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WCX
More data for this
Ligand-Target Pair