BDBM50307253 CHEMBL592415::WTLNSAGYLLGPHAVGNHPSFSDKNGLTS-CONH2

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O

InChI Key: InChIKey=UTHJXLJHUIVFLB-TYEKMZLMSA-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 = 50307253   

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
Galanin receptor 2 (Homo sapiens (Human))	BDBM50307253 (CHEMBL592415 | WTLNSAGYLLGPHAVGNHPSFSDKNGLTS-CONH2) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O |r,wU:63.64,51.56,37.40,8.12,92.95,107.111,118.122,136.141,153.158,170.176,187.193,199.205,214.220,wD:59.60,75.79,43.48,32.33,16.25,4.4,88.92,102.107,126.130,147.152,164.170,178.184,207.213,208.216,(42.1,-65.81,;41.31,-64.49,;42.06,-63.14,;39.77,-64.51,;38.98,-63.18,;37.44,-63.2,;36.67,-64.54,;37.47,-65.87,;35.13,-64.56,;34.34,-63.22,;35.1,-61.88,;34.32,-60.55,;36.64,-61.87,;34.38,-65.91,;32.83,-65.91,;32.05,-64.59,;32.08,-67.27,;32.86,-68.6,;34.41,-68.58,;35.16,-67.23,;36.69,-67.22,;37.49,-68.54,;39.03,-68.52,;36.72,-69.88,;35.19,-69.9,;30.54,-67.28,;29.78,-68.62,;30.58,-69.95,;28.24,-68.64,;27.47,-69.98,;25.93,-70,;25.14,-68.67,;25.19,-71.35,;25.97,-72.68,;23.63,-71.36,;22.88,-72.71,;23.67,-74.04,;21.34,-72.73,;20.55,-71.39,;21.3,-70.06,;20.58,-74.07,;19.03,-74.09,;18.24,-72.76,;18.28,-75.44,;19.06,-76.76,;20.6,-76.74,;21.36,-75.4,;21.4,-78.07,;16.74,-75.44,;15.97,-76.8,;16.77,-78.11,;14.43,-76.8,;13.65,-75.48,;14.41,-74.14,;13.62,-72.81,;15.95,-74.12,;13.67,-78.15,;12.12,-78.18,;11.35,-76.84,;11.38,-79.52,;9.84,-79.53,;9.07,-80.88,;9.86,-82.2,;7.53,-80.9,;6.77,-82.24,;6.75,-79.57,;7.5,-78.23,;9.04,-78.04,;9.34,-76.54,;8,-75.79,;7.66,-74.29,;6.18,-73.82,;5.05,-74.86,;5.4,-76.36,;6.85,-76.82,;12.16,-80.84,;11.4,-82.18,;13.7,-80.83,;39.73,-61.84,;38.95,-60.5,;41.27,-61.81,;42.03,-60.47,;43.57,-60.45,;44.36,-61.77,;44.33,-59.11,;45.97,-59.47,;46.84,-58.04,;45.74,-56.77,;44.43,-57.6,;43.09,-56.83,;41.75,-57.6,;43.09,-55.29,;41.76,-54.52,;40.44,-55.29,;39.08,-54.51,;38.95,-52.96,;37.43,-52.64,;36.66,-53.95,;37.69,-55.11,;41.76,-52.96,;43.12,-52.19,;40.44,-52.2,;40.44,-50.66,;41.79,-49.86,;39.11,-49.89,;37.78,-50.66,;39.11,-48.32,;37.78,-47.57,;36.47,-48.32,;35.12,-47.55,;36.47,-49.85,;37.78,-46.02,;39.14,-45.22,;36.47,-45.25,;36.47,-43.68,;35.15,-42.92,;33.83,-43.68,;35.15,-41.37,;33.83,-40.6,;32.5,-41.37,;31.15,-40.58,;31.15,-39.02,;29.83,-41.33,;33.83,-39.04,;35.17,-38.25,;32.5,-38.28,;32.5,-36.71,;33.85,-35.93,;33.85,-34.41,;32.63,-33.49,;33.12,-32.04,;34.66,-32.05,;35.12,-33.52,;31.17,-35.94,;29.86,-36.71,;31.17,-34.39,;29.86,-33.64,;28.53,-34.39,;27.18,-33.61,;25.85,-34.38,;24.51,-33.59,;23.19,-34.36,;23.19,-35.9,;21.84,-33.57,;29.86,-32.06,;31.2,-31.29,;28.53,-31.3,;28.53,-29.75,;29.87,-28.97,;29.87,-27.44,;27.21,-28.98,;25.88,-29.75,;27.21,-27.41,;25.88,-26.66,;24.57,-27.41,;23.21,-26.65,;23.23,-25.1,;21.9,-24.32,;20.56,-25.08,;20.55,-26.62,;21.89,-27.4,;25.88,-25.11,;27.23,-24.32,;24.57,-24.33,;24.57,-22.77,;25.92,-22,;25.92,-20.47,;23.24,-22.01,;21.91,-22.77,;23.24,-20.46,;21.91,-19.69,;20.59,-20.46,;19.25,-19.68,;19.25,-18.12,;17.92,-20.45,;21.91,-18.13,;23.27,-17.36,;20.59,-17.37,;20.59,-15.82,;21.95,-15.04,;21.95,-13.51,;23.29,-12.73,;23.29,-11.2,;24.64,-10.42,;19.26,-15.05,;17.95,-15.82,;19.26,-13.48,;17.95,-12.73,;16.62,-13.48,;15.27,-12.71,;15.27,-11.16,;13.96,-13.47,;17.95,-11.17,;19.29,-10.39,;16.62,-10.4,;16.62,-8.84,;15.3,-8.08,;13.97,-8.84,;15.3,-6.53,;13.97,-5.76,;12.66,-6.53,;11.31,-5.75,;9.98,-6.52,;11.31,-4.18,;13.97,-4.2,;15.33,-3.43,;12.66,-3.44,;12.66,-1.89,;14,-1.1,;15.36,-1.89,;14,.42,;11.33,-1.12,;10.01,-1.89,;11.33,.45,;10.01,1.21,;8.68,.45,;7.34,1.22,;10.01,2.76,;8.68,3.53,;11.35,3.54,)| Show InChI InChI=1S/C137H207N41O42/c1-64(2)38-84(162-120(203)86(40-66(5)6)163-122(205)88(43-74-31-33-78(185)34-32-74)158-104(189)54-149-112(195)69(11)155-129(212)96(58-179)172-126(209)94(49-103(142)188)167-121(204)87(41-67(7)8)170-134(217)110(71(13)183)176-114(197)80(139)44-75-51-148-81-27-19-18-26-79(75)81)115(198)152-57-107(192)178-37-23-30-100(178)132(215)169-90(45-76-52-145-62-153-76)119(202)156-70(12)113(196)175-109(68(9)10)133(216)151-56-106(191)159-93(48-102(141)187)125(208)165-91(46-77-53-146-63-154-77)124(207)161-83(29-22-36-147-137(143)144)118(201)171-97(59-180)130(213)164-89(42-73-24-16-15-17-25-73)123(206)173-98(60-181)131(214)168-95(50-108(193)194)127(210)160-82(28-20-21-35-138)117(200)166-92(47-101(140)186)116(199)150-55-105(190)157-85(39-65(3)4)128(211)177-111(72(14)184)135(218)174-99(61-182)136(219)220/h15-19,24-27,31-34,51-53,62-72,80,82-100,109-111,148,179-185H,20-23,28-30,35-50,54-61,138-139H2,1-14H3,(H2,140,186)(H2,141,187)(H2,142,188)(H,145,153)(H,146,154)(H,149,195)(H,150,199)(H,151,216)(H,152,198)(H,155,212)(H,156,202)(H,157,190)(H,158,189)(H,159,191)(H,160,210)(H,161,207)(H,162,203)(H,163,205)(H,164,213)(H,165,208)(H,166,200)(H,167,204)(H,168,214)(H,169,215)(H,170,217)(H,171,201)(H,172,209)(H,173,206)(H,174,218)(H,175,196)(H,176,197)(H,177,211)(H,193,194)(H,219,220)(H4,143,144,147)/t69-,70-,71+,72+,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,109-,110-,111-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay				J Med Chem 53: 1871-5 (2010) Article DOI: 10.1021/jm9018349 BindingDB Entry DOI: 10.7270/Q26D5TXJ
					More data for this Ligand-Target Pair
GALR1 (Homo sapiens (Human))	BDBM50307253 (CHEMBL592415 | WTLNSAGYLLGPHAVGNHPSFSDKNGLTS-CONH2) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O |r,wU:63.64,51.56,37.40,8.12,92.95,107.111,118.122,136.141,153.158,170.176,187.193,199.205,214.220,wD:59.60,75.79,43.48,32.33,16.25,4.4,88.92,102.107,126.130,147.152,164.170,178.184,207.213,208.216,(42.1,-65.81,;41.31,-64.49,;42.06,-63.14,;39.77,-64.51,;38.98,-63.18,;37.44,-63.2,;36.67,-64.54,;37.47,-65.87,;35.13,-64.56,;34.34,-63.22,;35.1,-61.88,;34.32,-60.55,;36.64,-61.87,;34.38,-65.91,;32.83,-65.91,;32.05,-64.59,;32.08,-67.27,;32.86,-68.6,;34.41,-68.58,;35.16,-67.23,;36.69,-67.22,;37.49,-68.54,;39.03,-68.52,;36.72,-69.88,;35.19,-69.9,;30.54,-67.28,;29.78,-68.62,;30.58,-69.95,;28.24,-68.64,;27.47,-69.98,;25.93,-70,;25.14,-68.67,;25.19,-71.35,;25.97,-72.68,;23.63,-71.36,;22.88,-72.71,;23.67,-74.04,;21.34,-72.73,;20.55,-71.39,;21.3,-70.06,;20.58,-74.07,;19.03,-74.09,;18.24,-72.76,;18.28,-75.44,;19.06,-76.76,;20.6,-76.74,;21.36,-75.4,;21.4,-78.07,;16.74,-75.44,;15.97,-76.8,;16.77,-78.11,;14.43,-76.8,;13.65,-75.48,;14.41,-74.14,;13.62,-72.81,;15.95,-74.12,;13.67,-78.15,;12.12,-78.18,;11.35,-76.84,;11.38,-79.52,;9.84,-79.53,;9.07,-80.88,;9.86,-82.2,;7.53,-80.9,;6.77,-82.24,;6.75,-79.57,;7.5,-78.23,;9.04,-78.04,;9.34,-76.54,;8,-75.79,;7.66,-74.29,;6.18,-73.82,;5.05,-74.86,;5.4,-76.36,;6.85,-76.82,;12.16,-80.84,;11.4,-82.18,;13.7,-80.83,;39.73,-61.84,;38.95,-60.5,;41.27,-61.81,;42.03,-60.47,;43.57,-60.45,;44.36,-61.77,;44.33,-59.11,;45.97,-59.47,;46.84,-58.04,;45.74,-56.77,;44.43,-57.6,;43.09,-56.83,;41.75,-57.6,;43.09,-55.29,;41.76,-54.52,;40.44,-55.29,;39.08,-54.51,;38.95,-52.96,;37.43,-52.64,;36.66,-53.95,;37.69,-55.11,;41.76,-52.96,;43.12,-52.19,;40.44,-52.2,;40.44,-50.66,;41.79,-49.86,;39.11,-49.89,;37.78,-50.66,;39.11,-48.32,;37.78,-47.57,;36.47,-48.32,;35.12,-47.55,;36.47,-49.85,;37.78,-46.02,;39.14,-45.22,;36.47,-45.25,;36.47,-43.68,;35.15,-42.92,;33.83,-43.68,;35.15,-41.37,;33.83,-40.6,;32.5,-41.37,;31.15,-40.58,;31.15,-39.02,;29.83,-41.33,;33.83,-39.04,;35.17,-38.25,;32.5,-38.28,;32.5,-36.71,;33.85,-35.93,;33.85,-34.41,;32.63,-33.49,;33.12,-32.04,;34.66,-32.05,;35.12,-33.52,;31.17,-35.94,;29.86,-36.71,;31.17,-34.39,;29.86,-33.64,;28.53,-34.39,;27.18,-33.61,;25.85,-34.38,;24.51,-33.59,;23.19,-34.36,;23.19,-35.9,;21.84,-33.57,;29.86,-32.06,;31.2,-31.29,;28.53,-31.3,;28.53,-29.75,;29.87,-28.97,;29.87,-27.44,;27.21,-28.98,;25.88,-29.75,;27.21,-27.41,;25.88,-26.66,;24.57,-27.41,;23.21,-26.65,;23.23,-25.1,;21.9,-24.32,;20.56,-25.08,;20.55,-26.62,;21.89,-27.4,;25.88,-25.11,;27.23,-24.32,;24.57,-24.33,;24.57,-22.77,;25.92,-22,;25.92,-20.47,;23.24,-22.01,;21.91,-22.77,;23.24,-20.46,;21.91,-19.69,;20.59,-20.46,;19.25,-19.68,;19.25,-18.12,;17.92,-20.45,;21.91,-18.13,;23.27,-17.36,;20.59,-17.37,;20.59,-15.82,;21.95,-15.04,;21.95,-13.51,;23.29,-12.73,;23.29,-11.2,;24.64,-10.42,;19.26,-15.05,;17.95,-15.82,;19.26,-13.48,;17.95,-12.73,;16.62,-13.48,;15.27,-12.71,;15.27,-11.16,;13.96,-13.47,;17.95,-11.17,;19.29,-10.39,;16.62,-10.4,;16.62,-8.84,;15.3,-8.08,;13.97,-8.84,;15.3,-6.53,;13.97,-5.76,;12.66,-6.53,;11.31,-5.75,;9.98,-6.52,;11.31,-4.18,;13.97,-4.2,;15.33,-3.43,;12.66,-3.44,;12.66,-1.89,;14,-1.1,;15.36,-1.89,;14,.42,;11.33,-1.12,;10.01,-1.89,;11.33,.45,;10.01,1.21,;8.68,.45,;7.34,1.22,;10.01,2.76,;8.68,3.53,;11.35,3.54,)| Show InChI InChI=1S/C137H207N41O42/c1-64(2)38-84(162-120(203)86(40-66(5)6)163-122(205)88(43-74-31-33-78(185)34-32-74)158-104(189)54-149-112(195)69(11)155-129(212)96(58-179)172-126(209)94(49-103(142)188)167-121(204)87(41-67(7)8)170-134(217)110(71(13)183)176-114(197)80(139)44-75-51-148-81-27-19-18-26-79(75)81)115(198)152-57-107(192)178-37-23-30-100(178)132(215)169-90(45-76-52-145-62-153-76)119(202)156-70(12)113(196)175-109(68(9)10)133(216)151-56-106(191)159-93(48-102(141)187)125(208)165-91(46-77-53-146-63-154-77)124(207)161-83(29-22-36-147-137(143)144)118(201)171-97(59-180)130(213)164-89(42-73-24-16-15-17-25-73)123(206)173-98(60-181)131(214)168-95(50-108(193)194)127(210)160-82(28-20-21-35-138)117(200)166-92(47-101(140)186)116(199)150-55-105(190)157-85(39-65(3)4)128(211)177-111(72(14)184)135(218)174-99(61-182)136(219)220/h15-19,24-27,31-34,51-53,62-72,80,82-100,109-111,148,179-185H,20-23,28-30,35-50,54-61,138-139H2,1-14H3,(H2,140,186)(H2,141,187)(H2,142,188)(H,145,153)(H,146,154)(H,149,195)(H,150,199)(H,151,216)(H,152,198)(H,155,212)(H,156,202)(H,157,190)(H,158,189)(H,159,191)(H,160,210)(H,161,207)(H,162,203)(H,163,205)(H,164,213)(H,165,208)(H,166,200)(H,167,204)(H,168,214)(H,169,215)(H,170,217)(H,171,201)(H,172,209)(H,173,206)(H,174,218)(H,175,196)(H,176,197)(H,177,211)(H,193,194)(H,219,220)(H4,143,144,147)/t69-,70-,71+,72+,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,109-,110-,111-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Binding affinity to human GalR1				J Med Chem 53: 1871-5 (2010) Article DOI: 10.1021/jm9018349 BindingDB Entry DOI: 10.7270/Q26D5TXJ
					More data for this Ligand-Target Pair