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SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)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

InChI Key: InChIKey=ZGJIBVVGPVVSCO-VDGRRKPESA-N

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 = 50046557   
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))		BDBM50046557
PNG
(CHEMBL2370624 | Tyr-c(Glu-Ser-Lys-(Aca)-Arg-His-(D...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)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 |wU:103.105,28.27,24.24,8.12,141.143,33.33,121.123,86.88,71.72,104.108,43.44,62.63,2.2,wD:4.4,16.20,77.84,110.112,130.132,96.99,(21.68,-18.1,;21.68,-16.56,;23.04,-15.83,;24.37,-16.63,;23.04,-14.3,;21.7,-13.51,;20.32,-14.27,;20.34,-15.77,;18.99,-13.47,;18.99,-11.94,;20.35,-11.22,;20.38,-9.68,;21.72,-12.01,;17.63,-14.19,;16.3,-13.41,;16.3,-11.89,;14.93,-14.12,;14.91,-15.66,;16.27,-16.45,;17.62,-15.72,;16.26,-17.95,;13.59,-13.33,;12.22,-14.07,;12.21,-15.59,;10.9,-13.29,;9.25,-14.34,;8.14,-13.26,;8.54,-11.79,;6.64,-13.66,;6.05,-12.22,;5.17,-10.99,;4.02,-9.97,;4.94,-8.74,;2.66,-9.18,;3.27,-7.81,;4.85,-7.63,;5.91,-8.75,;7.34,-8.13,;7.14,-6.6,;5.6,-6.32,;1.15,-8.75,;-.43,-8.64,;-.49,-7.1,;-1.97,-8.86,;-2.39,-7.39,;-1.28,-6.32,;-1.67,-4.85,;-.57,-3.77,;-.99,-2.3,;-2.49,-1.91,;.16,-1.25,;-3.44,-9.42,;-4.75,-10.28,;-5.75,-9.11,;-5.8,-11.39,;-6.59,-12.69,;-7.04,-14.15,;-7.19,-15.66,;-6.95,-17.15,;-6.36,-18.59,;-5.48,-19.84,;-6.66,-20.82,;-4.33,-20.86,;-5.25,-22.07,;-6.83,-21.89,;-7.76,-23.14,;-9.31,-22.96,;-10.27,-24.17,;-2.97,-21.63,;-1.46,-22.07,;-1.74,-23.57,;.11,-22.18,;.18,-23.71,;-1.17,-24.51,;1.65,-21.95,;3.13,-21.39,;3.84,-22.74,;4.42,-20.56,;5.49,-19.42,;6.28,-18.12,;6.75,-16.67,;8.27,-16.95,;6.85,-15.15,;5.46,-21.7,;6.98,-21.42,;7.52,-19.96,;8.03,-22.57,;9.56,-22.29,;7.5,-24,;8.5,-25.15,;10,-24.87,;11.01,-26.01,;10.49,-27.45,;11.47,-28.63,;8.97,-27.73,;7.99,-26.57,;10.89,-11.76,;12.25,-11.01,;9.54,-10.97,;9.54,-9.45,;24.4,-13.59,;24.4,-12.07,;25.75,-14.37,;27.09,-13.66,;27.12,-12.12,;25.76,-11.33,;28.47,-11.4,;28.44,-14.45,;28.44,-15.97,;29.81,-13.69,;31.13,-14.52,;31.13,-16.01,;32.5,-16.81,;32.5,-18.35,;33.82,-19.12,;33.82,-20.64,;35.17,-21.43,;32.46,-21.38,;32.52,-13.76,;32.52,-12.25,;33.86,-14.55,;35.22,-13.82,;35.22,-12.32,;36.57,-11.58,;36.58,-10.08,;35.25,-9.28,;37.96,-9.35,;36.54,-14.62,;36.53,-16.16,;37.93,-13.91,;39.26,-14.7,;39.26,-16.22,;40.59,-16.99,;40.59,-18.52,;41.91,-19.32,;41.91,-20.86,;43.28,-21.63,;40.59,-21.57,;40.63,-13.97,;40.63,-12.44,;41.95,-14.76,;43.31,-14.04,;43.31,-12.5,;44.67,-11.78,;46.03,-12.58,;47.38,-11.83,;47.39,-10.31,;48.74,-9.57,;46.06,-9.53,;44.7,-10.25,;44.66,-14.8,;46.02,-14.09,;44.66,-16.34,)|
Show InChI InChI=1S/C96H156N32O25/c1-8-50(5)75(127-88(147)69-46-112-80(139)66(43-55-45-107-48-113-55)122-81(140)60(19-15-37-109-94(101)102)114-73(135)22-11-10-14-36-108-79(138)59(18-12-13-35-97)117-89(148)70(47-129)125-85(144)64(32-34-74(136)115-69)116-78(137)58(98)41-53-23-27-56(131)28-24-53)90(149)123-67(44-72(100)134)86(145)121-65(40-49(3)4)87(146)126-76(51(6)9-2)91(150)128-77(52(7)130)92(151)120-62(21-17-39-111-96(105)106)82(141)119-63(31-33-71(99)133)84(143)118-61(20-16-38-110-95(103)104)83(142)124-68(93(152)153)42-54-25-29-57(132)30-26-54/h23-30,45,48-52,58-70,75-77,129-132H,8-22,31-44,46-47,97-98H2,1-7H3,(H2,99,133)(H2,100,134)(H,107,113)(H,108,138)(H,112,139)(H,114,135)(H,115,136)(H,116,137)(H,117,148)(H,118,143)(H,119,141)(H,120,151)(H,121,145)(H,122,140)(H,123,149)(H,124,142)(H,125,144)(H,126,146)(H,127,147)(H,128,150)(H,152,153)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t50-,51-,52+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75-,76-,77-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 220n/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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50046557
PNG
(CHEMBL2370624 | Tyr-c(Glu-Ser-Lys-(Aca)-Arg-His-(D...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)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 |wU:103.105,28.27,24.24,8.12,141.143,33.33,121.123,86.88,71.72,104.108,43.44,62.63,2.2,wD:4.4,16.20,77.84,110.112,130.132,96.99,(21.68,-18.1,;21.68,-16.56,;23.04,-15.83,;24.37,-16.63,;23.04,-14.3,;21.7,-13.51,;20.32,-14.27,;20.34,-15.77,;18.99,-13.47,;18.99,-11.94,;20.35,-11.22,;20.38,-9.68,;21.72,-12.01,;17.63,-14.19,;16.3,-13.41,;16.3,-11.89,;14.93,-14.12,;14.91,-15.66,;16.27,-16.45,;17.62,-15.72,;16.26,-17.95,;13.59,-13.33,;12.22,-14.07,;12.21,-15.59,;10.9,-13.29,;9.25,-14.34,;8.14,-13.26,;8.54,-11.79,;6.64,-13.66,;6.05,-12.22,;5.17,-10.99,;4.02,-9.97,;4.94,-8.74,;2.66,-9.18,;3.27,-7.81,;4.85,-7.63,;5.91,-8.75,;7.34,-8.13,;7.14,-6.6,;5.6,-6.32,;1.15,-8.75,;-.43,-8.64,;-.49,-7.1,;-1.97,-8.86,;-2.39,-7.39,;-1.28,-6.32,;-1.67,-4.85,;-.57,-3.77,;-.99,-2.3,;-2.49,-1.91,;.16,-1.25,;-3.44,-9.42,;-4.75,-10.28,;-5.75,-9.11,;-5.8,-11.39,;-6.59,-12.69,;-7.04,-14.15,;-7.19,-15.66,;-6.95,-17.15,;-6.36,-18.59,;-5.48,-19.84,;-6.66,-20.82,;-4.33,-20.86,;-5.25,-22.07,;-6.83,-21.89,;-7.76,-23.14,;-9.31,-22.96,;-10.27,-24.17,;-2.97,-21.63,;-1.46,-22.07,;-1.74,-23.57,;.11,-22.18,;.18,-23.71,;-1.17,-24.51,;1.65,-21.95,;3.13,-21.39,;3.84,-22.74,;4.42,-20.56,;5.49,-19.42,;6.28,-18.12,;6.75,-16.67,;8.27,-16.95,;6.85,-15.15,;5.46,-21.7,;6.98,-21.42,;7.52,-19.96,;8.03,-22.57,;9.56,-22.29,;7.5,-24,;8.5,-25.15,;10,-24.87,;11.01,-26.01,;10.49,-27.45,;11.47,-28.63,;8.97,-27.73,;7.99,-26.57,;10.89,-11.76,;12.25,-11.01,;9.54,-10.97,;9.54,-9.45,;24.4,-13.59,;24.4,-12.07,;25.75,-14.37,;27.09,-13.66,;27.12,-12.12,;25.76,-11.33,;28.47,-11.4,;28.44,-14.45,;28.44,-15.97,;29.81,-13.69,;31.13,-14.52,;31.13,-16.01,;32.5,-16.81,;32.5,-18.35,;33.82,-19.12,;33.82,-20.64,;35.17,-21.43,;32.46,-21.38,;32.52,-13.76,;32.52,-12.25,;33.86,-14.55,;35.22,-13.82,;35.22,-12.32,;36.57,-11.58,;36.58,-10.08,;35.25,-9.28,;37.96,-9.35,;36.54,-14.62,;36.53,-16.16,;37.93,-13.91,;39.26,-14.7,;39.26,-16.22,;40.59,-16.99,;40.59,-18.52,;41.91,-19.32,;41.91,-20.86,;43.28,-21.63,;40.59,-21.57,;40.63,-13.97,;40.63,-12.44,;41.95,-14.76,;43.31,-14.04,;43.31,-12.5,;44.67,-11.78,;46.03,-12.58,;47.38,-11.83,;47.39,-10.31,;48.74,-9.57,;46.06,-9.53,;44.7,-10.25,;44.66,-14.8,;46.02,-14.09,;44.66,-16.34,)|
Show InChI InChI=1S/C96H156N32O25/c1-8-50(5)75(127-88(147)69-46-112-80(139)66(43-55-45-107-48-113-55)122-81(140)60(19-15-37-109-94(101)102)114-73(135)22-11-10-14-36-108-79(138)59(18-12-13-35-97)117-89(148)70(47-129)125-85(144)64(32-34-74(136)115-69)116-78(137)58(98)41-53-23-27-56(131)28-24-53)90(149)123-67(44-72(100)134)86(145)121-65(40-49(3)4)87(146)126-76(51(6)9-2)91(150)128-77(52(7)130)92(151)120-62(21-17-39-111-96(105)106)82(141)119-63(31-33-71(99)133)84(143)118-61(20-16-38-110-95(103)104)83(142)124-68(93(152)153)42-54-25-29-57(132)30-26-54/h23-30,45,48-52,58-70,75-77,129-132H,8-22,31-44,46-47,97-98H2,1-7H3,(H2,99,133)(H2,100,134)(H,107,113)(H,108,138)(H,112,139)(H,114,135)(H,115,136)(H,116,137)(H,117,148)(H,118,143)(H,119,141)(H,120,151)(H,121,145)(H,122,140)(H,123,149)(H,124,142)(H,125,144)(H,126,146)(H,127,147)(H,128,150)(H,152,153)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t50-,51-,52+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75-,76-,77-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 220n/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