BDBM50046543 CHEMBL2370632::Tyr-c((D-Glu)-Ser-Lys-Pro-(D-Ala)-Arg-His-(DDpr))-Ile-Asn-Leu-Ile-Thr-Arg-Gln-Arg-Tyr

SMILES: [H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=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]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([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)NC(=O)[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=ANIBHQBBNODOQJ-MKOMAIAQSA-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 = 50046543   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50046543 (CHEMBL2370632 | Tyr-c((D-Glu)-Ser-Lys-Pro-(D-Ala)-...) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=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]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([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)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |wU:28.61,86.88,70.72,33.34,101.103,121.123,147.151,17.18,8.9,43.45,63.66,wD:94.96,23.147,62.64,78.80,132.134,112.114,95.99,54.56,87.90,1.0,(-7.53,-.27,;-7.57,-2.13,;-8.61,-.98,;-10.04,-1.58,;-9.92,-3.08,;-8.39,-3.44,;-8.85,-4.89,;-10.39,-4.59,;-8.94,-6.4,;-10.5,-6.51,;-11.36,-5.23,;-12.91,-5.31,;-13.77,-4.04,;-15.32,-4.13,;-8.66,-7.9,;-8.01,-9.27,;-9.35,-10.06,;-7.05,-10.48,;-8.15,-11.54,;-9.66,-11.17,;-5.82,-11.41,;-4.4,-12.03,;-4.88,-13.5,;-2.86,-12.3,;-1.31,-12.22,;.18,-11.77,;.83,-13.13,;1.53,-10.98,;2.62,-9.92,;3.42,-8.61,;3.87,-7.16,;3.97,-5.65,;5.52,-5.55,;3.68,-4.14,;5.18,-3.7,;6.31,-4.73,;6.14,-6.24,;7.55,-6.86,;8.62,-5.75,;7.85,-4.42,;3.04,-2.75,;2.08,-1.56,;3.17,-.49,;.84,-.63,;1.66,.65,;3.2,.64,;4.03,1.92,;5.58,1.89,;6.38,3.2,;7.93,3.19,;5.62,4.53,;-.57,-.01,;-2.12,.26,;-2.02,1.78,;-3.67,.16,;-3.95,1.68,;-5.15,-.25,;-6.5,-1.04,;-7.44,.14,;3.86,-10.84,;3.63,-12.34,;5.3,-10.27,;6.52,-11.2,;6.3,-12.72,;7.54,-13.64,;4.87,-13.29,;4.65,-14.78,;7.96,-10.65,;8.17,-9.16,;9.2,-11.6,;10.64,-11.02,;10.86,-9.51,;12.3,-8.95,;13.53,-9.89,;12.51,-7.45,;11.88,-11.96,;11.65,-13.46,;13.32,-11.37,;14.54,-12.34,;14.33,-13.84,;15.56,-14.77,;17.02,-14.2,;15.33,-16.26,;15.99,-11.77,;16.19,-10.26,;17.23,-12.7,;18.66,-12.13,;18.88,-10.62,;20.32,-10.06,;17.64,-9.69,;17.84,-8.19,;19.88,-13.08,;19.67,-14.57,;21.32,-12.51,;22.56,-13.43,;22.36,-14.95,;20.91,-15.5,;23.58,-15.88,;24.01,-12.88,;24.21,-11.37,;25.24,-13.81,;26.68,-13.25,;26.9,-11.72,;28.35,-11.17,;28.57,-9.69,;30,-9.1,;30.23,-7.59,;31.67,-7.03,;28.97,-6.66,;27.9,-14.18,;27.69,-15.68,;29.34,-13.61,;30.58,-14.54,;30.38,-16.05,;31.6,-16.98,;31.38,-18.5,;29.95,-19.07,;32.61,-19.45,;32.03,-13.99,;32.24,-12.47,;33.26,-14.92,;34.71,-14.37,;34.92,-12.85,;36.37,-12.27,;36.6,-10.78,;38.02,-10.23,;38.25,-8.71,;39.69,-8.14,;37.02,-7.76,;35.92,-15.3,;35.71,-16.8,;37.39,-14.73,;38.6,-15.68,;38.4,-17.16,;39.63,-18.11,;39.4,-19.6,;40.64,-20.53,;42.08,-19.98,;43.31,-20.91,;42.29,-18.46,;41.07,-17.54,;40.05,-15.11,;41.28,-16.04,;40.26,-13.6,;-2.95,-13.82,;-1.64,-14.67,;-.26,-13.99,;-1.74,-16.18,;-.44,-17.02,;-3.13,-16.85,;-3.99,-18.19,;-5.57,-18.25,;-6.36,-19.53,;-5.61,-20.79,;-6.43,-22.07,;-4.06,-20.74,;-3.24,-19.52,)| Show InChI InChI=1S/C97H155N33O26/c1-9-48(5)74(90(151)124-65(41-72(101)136)84(145)122-63(37-47(3)4)86(147)127-75(49(6)10-2)91(152)129-76(51(8)132)92(153)119-60(20-15-35-111-97(106)107)80(141)118-61(30-31-71(100)135)83(144)117-59(19-14-34-110-96(104)105)82(143)125-67(94(155)156)39-53-24-28-56(134)29-25-53)128-87(148)68-44-112-79(140)64(40-54-43-108-46-113-54)123-81(142)58(18-13-33-109-95(102)103)116-77(138)50(7)114-89(150)70-21-16-36-130(70)93(154)62(17-11-12-32-98)120-88(149)69(45-131)126-85(146)66(42-73(137)115-68)121-78(139)57(99)38-52-22-26-55(133)27-23-52/h22-29,43,46-51,57-70,74-76,131-134H,9-21,30-42,44-45,98-99H2,1-8H3,(H2,100,135)(H2,101,136)(H,108,113)(H,112,140)(H,114,150)(H,115,137)(H,116,138)(H,117,144)(H,118,141)(H,119,153)(H,120,149)(H,121,139)(H,122,145)(H,123,142)(H,124,151)(H,125,143)(H,126,146)(H,127,147)(H,128,148)(H,129,152)(H,155,156)(H4,102,103,109)(H4,104,105,110)(H4,106,107,111)/t48-,49-,50+,51+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,74-,75-,76-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50046543 (CHEMBL2370632 | Tyr-c((D-Glu)-Ser-Lys-Pro-(D-Ala)-...) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=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]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([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)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |wU:28.61,86.88,70.72,33.34,101.103,121.123,147.151,17.18,8.9,43.45,63.66,wD:94.96,23.147,62.64,78.80,132.134,112.114,95.99,54.56,87.90,1.0,(-7.53,-.27,;-7.57,-2.13,;-8.61,-.98,;-10.04,-1.58,;-9.92,-3.08,;-8.39,-3.44,;-8.85,-4.89,;-10.39,-4.59,;-8.94,-6.4,;-10.5,-6.51,;-11.36,-5.23,;-12.91,-5.31,;-13.77,-4.04,;-15.32,-4.13,;-8.66,-7.9,;-8.01,-9.27,;-9.35,-10.06,;-7.05,-10.48,;-8.15,-11.54,;-9.66,-11.17,;-5.82,-11.41,;-4.4,-12.03,;-4.88,-13.5,;-2.86,-12.3,;-1.31,-12.22,;.18,-11.77,;.83,-13.13,;1.53,-10.98,;2.62,-9.92,;3.42,-8.61,;3.87,-7.16,;3.97,-5.65,;5.52,-5.55,;3.68,-4.14,;5.18,-3.7,;6.31,-4.73,;6.14,-6.24,;7.55,-6.86,;8.62,-5.75,;7.85,-4.42,;3.04,-2.75,;2.08,-1.56,;3.17,-.49,;.84,-.63,;1.66,.65,;3.2,.64,;4.03,1.92,;5.58,1.89,;6.38,3.2,;7.93,3.19,;5.62,4.53,;-.57,-.01,;-2.12,.26,;-2.02,1.78,;-3.67,.16,;-3.95,1.68,;-5.15,-.25,;-6.5,-1.04,;-7.44,.14,;3.86,-10.84,;3.63,-12.34,;5.3,-10.27,;6.52,-11.2,;6.3,-12.72,;7.54,-13.64,;4.87,-13.29,;4.65,-14.78,;7.96,-10.65,;8.17,-9.16,;9.2,-11.6,;10.64,-11.02,;10.86,-9.51,;12.3,-8.95,;13.53,-9.89,;12.51,-7.45,;11.88,-11.96,;11.65,-13.46,;13.32,-11.37,;14.54,-12.34,;14.33,-13.84,;15.56,-14.77,;17.02,-14.2,;15.33,-16.26,;15.99,-11.77,;16.19,-10.26,;17.23,-12.7,;18.66,-12.13,;18.88,-10.62,;20.32,-10.06,;17.64,-9.69,;17.84,-8.19,;19.88,-13.08,;19.67,-14.57,;21.32,-12.51,;22.56,-13.43,;22.36,-14.95,;20.91,-15.5,;23.58,-15.88,;24.01,-12.88,;24.21,-11.37,;25.24,-13.81,;26.68,-13.25,;26.9,-11.72,;28.35,-11.17,;28.57,-9.69,;30,-9.1,;30.23,-7.59,;31.67,-7.03,;28.97,-6.66,;27.9,-14.18,;27.69,-15.68,;29.34,-13.61,;30.58,-14.54,;30.38,-16.05,;31.6,-16.98,;31.38,-18.5,;29.95,-19.07,;32.61,-19.45,;32.03,-13.99,;32.24,-12.47,;33.26,-14.92,;34.71,-14.37,;34.92,-12.85,;36.37,-12.27,;36.6,-10.78,;38.02,-10.23,;38.25,-8.71,;39.69,-8.14,;37.02,-7.76,;35.92,-15.3,;35.71,-16.8,;37.39,-14.73,;38.6,-15.68,;38.4,-17.16,;39.63,-18.11,;39.4,-19.6,;40.64,-20.53,;42.08,-19.98,;43.31,-20.91,;42.29,-18.46,;41.07,-17.54,;40.05,-15.11,;41.28,-16.04,;40.26,-13.6,;-2.95,-13.82,;-1.64,-14.67,;-.26,-13.99,;-1.74,-16.18,;-.44,-17.02,;-3.13,-16.85,;-3.99,-18.19,;-5.57,-18.25,;-6.36,-19.53,;-5.61,-20.79,;-6.43,-22.07,;-4.06,-20.74,;-3.24,-19.52,)| Show InChI InChI=1S/C97H155N33O26/c1-9-48(5)74(90(151)124-65(41-72(101)136)84(145)122-63(37-47(3)4)86(147)127-75(49(6)10-2)91(152)129-76(51(8)132)92(153)119-60(20-15-35-111-97(106)107)80(141)118-61(30-31-71(100)135)83(144)117-59(19-14-34-110-96(104)105)82(143)125-67(94(155)156)39-53-24-28-56(134)29-25-53)128-87(148)68-44-112-79(140)64(40-54-43-108-46-113-54)123-81(142)58(18-13-33-109-95(102)103)116-77(138)50(7)114-89(150)70-21-16-36-130(70)93(154)62(17-11-12-32-98)120-88(149)69(45-131)126-85(146)66(42-73(137)115-68)121-78(139)57(99)38-52-22-26-55(133)27-23-52/h22-29,43,46-51,57-70,74-76,131-134H,9-21,30-42,44-45,98-99H2,1-8H3,(H2,100,135)(H2,101,136)(H,108,113)(H,112,140)(H,114,150)(H,115,137)(H,116,138)(H,117,144)(H,118,141)(H,119,153)(H,120,149)(H,121,139)(H,122,145)(H,123,142)(H,124,151)(H,125,143)(H,126,146)(H,127,147)(H,128,148)(H,129,152)(H,155,156)(H4,102,103,109)(H4,104,105,110)(H4,106,107,111)/t48-,49-,50+,51+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,74-,75-,76-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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