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BDBM50046552 CHEMBL2370635::Tyr-c(Glu-Ser-Lys-Pro-(D-Ala)-Arg-His-(DDpr))-c(Lys-Asn-Leu-Ile-Glu)-Arg-Gln-Arg-Tyr

SMILES: [H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N[C@@H](CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC2=O)C(=O)N[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=NEPMJCDEWKUQKU-JDOBIETRSA-N

Data: 2 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 2 hits for monomerid = 50046552   
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 2


(Homo sapiens (Human))
BDBM50046552
PNG
(CHEMBL2370635 | Tyr-c(Glu-Ser-Lys-Pro-(D-Ala)-Arg-...)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N[C@@H](CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC2=O)C(=O)N[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |wU:29.62,90.93,34.35,105.108,125.128,82.85,151.156,17.18,8.9,44.46,wD:73.105,23.152,136.139,63.65,116.119,55.57,98.102,77.80,1.0,(-1.39,-13.1,;-.48,-14.73,;-1.94,-14.26,;-2.86,-15.49,;-1.94,-16.74,;-.48,-16.27,;-.12,-17.75,;-1.57,-18.28,;.57,-19.12,;-.71,-19.97,;-2.1,-19.28,;-3.39,-20.11,;-4.77,-19.44,;-6.06,-20.27,;1.56,-20.31,;2.81,-21.22,;2.02,-22.54,;4.22,-21.83,;3.77,-23.3,;2.28,-23.64,;5.74,-22.09,;7.27,-21.99,;7.56,-23.51,;8.76,-21.56,;10.11,-20.79,;11.23,-19.75,;12.08,-18.46,;13.44,-19.15,;12.61,-17.01,;12.78,-15.49,;12.61,-13.97,;12.08,-12.52,;11.23,-11.23,;12.41,-10.26,;10.11,-10.2,;11.03,-8.95,;12.55,-9.14,;13.31,-10.47,;14.83,-10.18,;15.02,-8.66,;13.61,-8.02,;8.76,-9.44,;7.27,-8.99,;7.56,-7.47,;5.74,-8.91,;5.65,-7.37,;6.94,-6.51,;6.86,-4.99,;8.15,-4.16,;8.06,-2.62,;9.35,-1.78,;6.68,-1.93,;4.22,-9.17,;2.81,-9.78,;2.02,-8.45,;1.56,-10.69,;.51,-9.57,;.57,-11.86,;-.12,-13.23,;-1.57,-12.72,;14.32,-15.49,;15.09,-16.81,;15.09,-14.17,;16.64,-14.17,;16.88,-15.69,;17.53,-17.06,;18.59,-18.18,;19.93,-18.95,;21.43,-19.31,;22.98,-19.19,;23.31,-20.67,;24.42,-18.62,;25.62,-17.67,;26.48,-16.4,;26.94,-14.93,;26.94,-13.4,;28.48,-13.18,;26.48,-11.92,;26.97,-10.12,;25.62,-10.67,;24.42,-9.71,;25.19,-8.38,;22.98,-9.15,;23.31,-7.66,;24.62,-6.58,;25.52,-7,;25.15,-5.71,;21.43,-9.04,;19.93,-9.38,;19.37,-7.95,;18.59,-10.14,;17.63,-8.94,;17.6,-7.49,;18.92,-6.74,;16.38,-6.74,;17.53,-11.26,;16.88,-12.65,;15.39,-12.19,;27.89,-11.26,;29.15,-12.12,;28,-9.74,;29.38,-9.08,;27.89,-17.06,;29.15,-16.2,;28,-18.59,;29.38,-19.25,;30.67,-18.39,;32.06,-19.05,;33.34,-18.19,;34.73,-18.86,;36,-18,;37.4,-18.66,;35.88,-16.47,;29.51,-20.79,;28.23,-21.66,;30.9,-21.46,;31.02,-22.98,;29.75,-23.84,;29.84,-25.38,;28.58,-26.25,;27.17,-25.58,;28.69,-27.77,;32.41,-23.64,;33.67,-22.78,;32.52,-25.18,;33.9,-25.84,;35.19,-24.98,;36.58,-25.65,;37.86,-24.78,;39.25,-25.46,;40.53,-24.59,;41.92,-25.25,;40.41,-23.05,;34.04,-27.37,;32.75,-28.23,;35.42,-28.03,;35.54,-29.57,;34.26,-30.44,;34.37,-31.96,;33.1,-32.81,;33.21,-34.35,;34.6,-35.03,;34.73,-36.54,;35.88,-34.16,;35.77,-32.62,;36.93,-30.24,;37.04,-31.76,;38.19,-29.37,;9.37,-22.97,;10.9,-23.15,;11.83,-21.92,;11.53,-24.55,;13.05,-24.73,;10.6,-25.79,;10.34,-27.14,;9.05,-26.37,;7.67,-27.07,;7.6,-28.56,;6.25,-29.24,;8.91,-29.31,;10.27,-28.61,)|
Show InChI InChI=1S/C99H156N34O26/c1-6-51(4)78-94(156)125-65(87(149)121-61(18-12-38-113-98(106)107)82(144)124-63(29-32-74(102)137)86(148)122-62(19-13-39-114-99(108)109)85(147)130-70(96(158)159)43-54-23-27-57(136)28-24-54)30-33-76(139)111-36-10-8-15-59(83(145)129-69(45-75(103)138)89(151)127-67(41-50(2)3)90(152)132-78)123-91(153)71-47-115-81(143)68(44-55-46-110-49-116-55)128-84(146)60(17-11-37-112-97(104)105)119-79(141)52(5)117-93(155)73-20-14-40-133(73)95(157)66(16-7-9-35-100)126-92(154)72(48-134)131-88(150)64(31-34-77(140)118-71)120-80(142)58(101)42-53-21-25-56(135)26-22-53/h21-28,46,49-52,58-73,78,134-136H,6-20,29-45,47-48,100-101H2,1-5H3,(H2,102,137)(H2,103,138)(H,110,116)(H,111,139)(H,115,143)(H,117,155)(H,118,140)(H,119,141)(H,120,142)(H,121,149)(H,122,148)(H,123,153)(H,124,144)(H,125,156)(H,126,154)(H,127,151)(H,128,146)(H,129,145)(H,130,147)(H,131,150)(H,132,152)(H,158,159)(H4,104,105,112)(H4,106,107,113)(H4,108,109,114)/t51-,52+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,78-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.300n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y2 receptors using SK-N-BE2 human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50046552
PNG
(CHEMBL2370635 | Tyr-c(Glu-Ser-Lys-Pro-(D-Ala)-Arg-...)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N[C@@H](CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC2=O)C(=O)N[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |wU:29.62,90.93,34.35,105.108,125.128,82.85,151.156,17.18,8.9,44.46,wD:73.105,23.152,136.139,63.65,116.119,55.57,98.102,77.80,1.0,(-1.39,-13.1,;-.48,-14.73,;-1.94,-14.26,;-2.86,-15.49,;-1.94,-16.74,;-.48,-16.27,;-.12,-17.75,;-1.57,-18.28,;.57,-19.12,;-.71,-19.97,;-2.1,-19.28,;-3.39,-20.11,;-4.77,-19.44,;-6.06,-20.27,;1.56,-20.31,;2.81,-21.22,;2.02,-22.54,;4.22,-21.83,;3.77,-23.3,;2.28,-23.64,;5.74,-22.09,;7.27,-21.99,;7.56,-23.51,;8.76,-21.56,;10.11,-20.79,;11.23,-19.75,;12.08,-18.46,;13.44,-19.15,;12.61,-17.01,;12.78,-15.49,;12.61,-13.97,;12.08,-12.52,;11.23,-11.23,;12.41,-10.26,;10.11,-10.2,;11.03,-8.95,;12.55,-9.14,;13.31,-10.47,;14.83,-10.18,;15.02,-8.66,;13.61,-8.02,;8.76,-9.44,;7.27,-8.99,;7.56,-7.47,;5.74,-8.91,;5.65,-7.37,;6.94,-6.51,;6.86,-4.99,;8.15,-4.16,;8.06,-2.62,;9.35,-1.78,;6.68,-1.93,;4.22,-9.17,;2.81,-9.78,;2.02,-8.45,;1.56,-10.69,;.51,-9.57,;.57,-11.86,;-.12,-13.23,;-1.57,-12.72,;14.32,-15.49,;15.09,-16.81,;15.09,-14.17,;16.64,-14.17,;16.88,-15.69,;17.53,-17.06,;18.59,-18.18,;19.93,-18.95,;21.43,-19.31,;22.98,-19.19,;23.31,-20.67,;24.42,-18.62,;25.62,-17.67,;26.48,-16.4,;26.94,-14.93,;26.94,-13.4,;28.48,-13.18,;26.48,-11.92,;26.97,-10.12,;25.62,-10.67,;24.42,-9.71,;25.19,-8.38,;22.98,-9.15,;23.31,-7.66,;24.62,-6.58,;25.52,-7,;25.15,-5.71,;21.43,-9.04,;19.93,-9.38,;19.37,-7.95,;18.59,-10.14,;17.63,-8.94,;17.6,-7.49,;18.92,-6.74,;16.38,-6.74,;17.53,-11.26,;16.88,-12.65,;15.39,-12.19,;27.89,-11.26,;29.15,-12.12,;28,-9.74,;29.38,-9.08,;27.89,-17.06,;29.15,-16.2,;28,-18.59,;29.38,-19.25,;30.67,-18.39,;32.06,-19.05,;33.34,-18.19,;34.73,-18.86,;36,-18,;37.4,-18.66,;35.88,-16.47,;29.51,-20.79,;28.23,-21.66,;30.9,-21.46,;31.02,-22.98,;29.75,-23.84,;29.84,-25.38,;28.58,-26.25,;27.17,-25.58,;28.69,-27.77,;32.41,-23.64,;33.67,-22.78,;32.52,-25.18,;33.9,-25.84,;35.19,-24.98,;36.58,-25.65,;37.86,-24.78,;39.25,-25.46,;40.53,-24.59,;41.92,-25.25,;40.41,-23.05,;34.04,-27.37,;32.75,-28.23,;35.42,-28.03,;35.54,-29.57,;34.26,-30.44,;34.37,-31.96,;33.1,-32.81,;33.21,-34.35,;34.6,-35.03,;34.73,-36.54,;35.88,-34.16,;35.77,-32.62,;36.93,-30.24,;37.04,-31.76,;38.19,-29.37,;9.37,-22.97,;10.9,-23.15,;11.83,-21.92,;11.53,-24.55,;13.05,-24.73,;10.6,-25.79,;10.34,-27.14,;9.05,-26.37,;7.67,-27.07,;7.6,-28.56,;6.25,-29.24,;8.91,-29.31,;10.27,-28.61,)|
Show InChI InChI=1S/C99H156N34O26/c1-6-51(4)78-94(156)125-65(87(149)121-61(18-12-38-113-98(106)107)82(144)124-63(29-32-74(102)137)86(148)122-62(19-13-39-114-99(108)109)85(147)130-70(96(158)159)43-54-23-27-57(136)28-24-54)30-33-76(139)111-36-10-8-15-59(83(145)129-69(45-75(103)138)89(151)127-67(41-50(2)3)90(152)132-78)123-91(153)71-47-115-81(143)68(44-55-46-110-49-116-55)128-84(146)60(17-11-37-112-97(104)105)119-79(141)52(5)117-93(155)73-20-14-40-133(73)95(157)66(16-7-9-35-100)126-92(154)72(48-134)131-88(150)64(31-34-77(140)118-71)120-80(142)58(101)42-53-21-25-56(135)26-22-53/h21-28,46,49-52,58-73,78,134-136H,6-20,29-45,47-48,100-101H2,1-5H3,(H2,102,137)(H2,103,138)(H,110,116)(H,111,139)(H,115,143)(H,117,155)(H,118,140)(H,119,141)(H,120,142)(H,121,149)(H,122,148)(H,123,153)(H,124,144)(H,125,156)(H,126,154)(H,127,151)(H,128,146)(H,129,145)(H,130,147)(H,131,150)(H,132,152)(H,158,159)(H4,104,105,112)(H4,106,107,113)(H4,108,109,114)/t51-,52+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,78-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y1 receptors using SK-N-MC human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair