Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Galanin receptor type 2' and Ligand = 'BDBM85071'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Galanin receptor type 2 (RAT)	BDBM85071 (Galanin (3-29), rat) 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)=O |wU:208.216,92.95,4.4,8.12,107.111,118.122,43.48,59.60,136.141,63.64,199.205,187.193,153.158,170.176,32.33,wD:75.79,16.25,126.130,51.56,37.40,147.152,178.184,207.213,164.170,88.92,102.107,(13.72,-6.64,;14.86,-5.61,;14.54,-4.1,;16.33,-6.08,;17.47,-5.05,;18.94,-5.53,;19.26,-7.04,;18.11,-8.07,;20.72,-7.51,;21.04,-9.02,;19.9,-10.05,;20.22,-11.56,;18.43,-9.57,;21.86,-6.48,;23.33,-6.96,;23.65,-8.46,;24.47,-5.93,;24.15,-4.42,;25.3,-3.39,;26.76,-3.87,;27.91,-2.84,;27.59,-1.33,;28.73,-.3,;26.12,-.85,;24.98,-1.88,;25.94,-6.4,;26.26,-7.91,;25.11,-8.94,;27.72,-8.39,;28.04,-9.89,;29.51,-10.37,;30.65,-9.34,;29.83,-11.87,;28.68,-12.9,;31.29,-12.35,;31.61,-13.86,;30.47,-14.89,;33.08,-14.33,;34.22,-13.3,;35.69,-13.78,;33.4,-15.84,;34.86,-16.31,;36.01,-15.28,;35.18,-17.82,;34.04,-18.85,;34.36,-20.36,;33.21,-21.39,;35.82,-20.83,;36.65,-18.3,;37.79,-17.27,;37.47,-15.76,;39.26,-17.74,;40.4,-16.71,;40.08,-15.21,;41.23,-14.18,;38.62,-14.73,;39.58,-19.25,;41.04,-19.72,;42.19,-18.69,;41.36,-21.23,;42.83,-21.71,;43.15,-23.21,;42,-24.24,;44.61,-23.69,;45.76,-22.66,;44.93,-25.2,;46.4,-25.67,;47.63,-24.77,;48.87,-25.67,;48.41,-27.13,;49.18,-28.46,;48.41,-29.79,;46.87,-29.8,;46.1,-28.46,;46.87,-27.13,;40.22,-22.26,;38.75,-21.79,;40.54,-23.77,;17.15,-3.55,;15.69,-3.07,;18.29,-2.52,;17.97,-1.01,;16.51,-.54,;15.37,-1.57,;16.19,.97,;17.22,2.12,;16.45,3.45,;14.94,3.13,;14.78,1.6,;13.45,.83,;13.45,-.71,;12.12,1.6,;10.78,.83,;10.78,-.71,;9.45,-1.48,;9.29,-3.01,;7.78,-3.33,;7.01,-2,;8.04,-.86,;9.45,1.6,;9.45,3.14,;7.91,.83,;6.57,1.6,;6.57,3.14,;5.24,.83,;5.24,-.71,;4.52,11.61,;5.85,12.38,;5.85,13.92,;4.52,14.69,;7.19,14.69,;7.19,11.61,;7.19,10.07,;8.73,12.38,;10.06,11.61,;11.39,12.38,;11.39,13.92,;12.93,11.61,;14.27,12.38,;14.27,13.92,;15.6,14.69,;15.6,16.23,;16.93,13.92,;15.6,11.61,;15.6,10.07,;17.14,12.38,;18.47,11.61,;18.47,10.07,;19.81,9.3,;19.97,7.77,;21.48,7.45,;22.25,8.78,;21.22,9.92,;19.81,12.38,;19.81,13.92,;21.35,11.61,;22.68,12.38,;22.68,13.92,;24.02,14.69,;24.02,16.23,;22.68,17,;22.68,18.54,;21.35,19.31,;24.02,19.31,;24.02,11.61,;24.02,10.07,;25.56,12.38,;26.89,11.61,;26.89,10.07,;28.22,9.3,;28.22,12.38,;28.22,13.92,;29.76,11.61,;31.1,12.38,;31.1,13.92,;32.43,14.69,;33.76,13.92,;35.1,14.69,;35.1,16.23,;33.76,17,;32.43,16.23,;32.43,11.61,;32.43,10.07,;33.15,22.39,;31.82,23.16,;31.82,24.7,;33.15,25.47,;30.49,22.39,;30.49,20.85,;28.95,23.16,;27.61,22.39,;27.61,20.85,;26.28,20.08,;26.28,18.54,;24.94,20.85,;26.28,23.16,;26.28,24.7,;24.74,22.39,;23.4,23.16,;23.4,24.7,;22.07,25.47,;22.07,27.01,;20.74,27.78,;20.74,29.32,;22.07,22.39,;22.07,20.85,;20.53,23.16,;19.2,22.39,;19.2,20.85,;17.86,20.08,;17.86,18.54,;16.53,20.85,;17.86,23.16,;17.86,24.7,;16.32,22.39,;14.99,23.16,;13.66,22.39,;13.66,20.85,;12.12,23.16,;10.78,22.39,;10.78,20.85,;9.45,20.08,;9.45,18.54,;8.11,20.85,;9.45,23.16,;9.45,24.7,;7.91,22.39,;6.57,23.16,;6.57,24.7,;7.91,25.47,;5.24,25.47,;5.24,22.39,;3.91,23.16,;5.24,20.85,)| Show InChI InChI=1S/C134H202N40O40/c1-63(2)38-83(159-118(198)85(40-65(5)6)160-120(200)87(43-73-31-33-77(180)34-32-73)155-102(184)54-146-110(190)68(11)152-127(207)95(58-175)169-124(204)93(49-101(139)183)164-119(199)86(41-66(7)8)167-132(212)108(70(13)178)172-112(192)79(136)44-74-51-145-80-27-19-18-26-78(74)80)113(193)149-57-105(187)174-37-23-30-98(174)130(210)166-89(45-75-52-142-61-150-75)117(197)153-69(12)111(191)171-107(67(9)10)131(211)148-56-104(186)156-92(48-100(138)182)123(203)162-90(46-76-53-143-62-151-76)122(202)158-82(29-22-36-144-134(140)141)116(196)168-96(59-176)128(208)161-88(42-72-24-16-15-17-25-72)121(201)170-97(60-177)129(209)165-94(50-106(188)189)125(205)157-81(28-20-21-35-135)115(195)163-91(47-99(137)181)114(194)147-55-103(185)154-84(39-64(3)4)126(206)173-109(71(14)179)133(213)214/h15-19,24-27,31-34,51-53,61-71,79,81-98,107-109,145,175-180H,20-23,28-30,35-50,54-60,135-136H2,1-14H3,(H2,137,181)(H2,138,182)(H2,139,183)(H,142,150)(H,143,151)(H,146,190)(H,147,194)(H,148,211)(H,149,193)(H,152,207)(H,153,197)(H,154,185)(H,155,184)(H,156,186)(H,157,205)(H,158,202)(H,159,198)(H,160,200)(H,161,208)(H,162,203)(H,163,195)(H,164,199)(H,165,209)(H,166,210)(H,167,212)(H,168,196)(H,169,204)(H,170,201)(H,171,191)(H,172,192)(H,173,206)(H,188,189)(H,213,214)(H4,140,141,144)/t68-,69-,70+,71-,79-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,107-,108-,109-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									J Biol Chem 272: 31949-52 (1997) Article DOI: 10.1074/jbc.272.51.31949 BindingDB Entry DOI: 10.7270/Q21Z42ZG
					More data for this Ligand-Target Pair
Galanin receptor type 2 (RAT)	BDBM85071 (Galanin (3-29), rat) 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)=O |wU:208.216,92.95,4.4,8.12,107.111,118.122,43.48,59.60,136.141,63.64,199.205,187.193,153.158,170.176,32.33,wD:75.79,16.25,126.130,51.56,37.40,147.152,178.184,207.213,164.170,88.92,102.107,(13.72,-6.64,;14.86,-5.61,;14.54,-4.1,;16.33,-6.08,;17.47,-5.05,;18.94,-5.53,;19.26,-7.04,;18.11,-8.07,;20.72,-7.51,;21.04,-9.02,;19.9,-10.05,;20.22,-11.56,;18.43,-9.57,;21.86,-6.48,;23.33,-6.96,;23.65,-8.46,;24.47,-5.93,;24.15,-4.42,;25.3,-3.39,;26.76,-3.87,;27.91,-2.84,;27.59,-1.33,;28.73,-.3,;26.12,-.85,;24.98,-1.88,;25.94,-6.4,;26.26,-7.91,;25.11,-8.94,;27.72,-8.39,;28.04,-9.89,;29.51,-10.37,;30.65,-9.34,;29.83,-11.87,;28.68,-12.9,;31.29,-12.35,;31.61,-13.86,;30.47,-14.89,;33.08,-14.33,;34.22,-13.3,;35.69,-13.78,;33.4,-15.84,;34.86,-16.31,;36.01,-15.28,;35.18,-17.82,;34.04,-18.85,;34.36,-20.36,;33.21,-21.39,;35.82,-20.83,;36.65,-18.3,;37.79,-17.27,;37.47,-15.76,;39.26,-17.74,;40.4,-16.71,;40.08,-15.21,;41.23,-14.18,;38.62,-14.73,;39.58,-19.25,;41.04,-19.72,;42.19,-18.69,;41.36,-21.23,;42.83,-21.71,;43.15,-23.21,;42,-24.24,;44.61,-23.69,;45.76,-22.66,;44.93,-25.2,;46.4,-25.67,;47.63,-24.77,;48.87,-25.67,;48.41,-27.13,;49.18,-28.46,;48.41,-29.79,;46.87,-29.8,;46.1,-28.46,;46.87,-27.13,;40.22,-22.26,;38.75,-21.79,;40.54,-23.77,;17.15,-3.55,;15.69,-3.07,;18.29,-2.52,;17.97,-1.01,;16.51,-.54,;15.37,-1.57,;16.19,.97,;17.22,2.12,;16.45,3.45,;14.94,3.13,;14.78,1.6,;13.45,.83,;13.45,-.71,;12.12,1.6,;10.78,.83,;10.78,-.71,;9.45,-1.48,;9.29,-3.01,;7.78,-3.33,;7.01,-2,;8.04,-.86,;9.45,1.6,;9.45,3.14,;7.91,.83,;6.57,1.6,;6.57,3.14,;5.24,.83,;5.24,-.71,;4.52,11.61,;5.85,12.38,;5.85,13.92,;4.52,14.69,;7.19,14.69,;7.19,11.61,;7.19,10.07,;8.73,12.38,;10.06,11.61,;11.39,12.38,;11.39,13.92,;12.93,11.61,;14.27,12.38,;14.27,13.92,;15.6,14.69,;15.6,16.23,;16.93,13.92,;15.6,11.61,;15.6,10.07,;17.14,12.38,;18.47,11.61,;18.47,10.07,;19.81,9.3,;19.97,7.77,;21.48,7.45,;22.25,8.78,;21.22,9.92,;19.81,12.38,;19.81,13.92,;21.35,11.61,;22.68,12.38,;22.68,13.92,;24.02,14.69,;24.02,16.23,;22.68,17,;22.68,18.54,;21.35,19.31,;24.02,19.31,;24.02,11.61,;24.02,10.07,;25.56,12.38,;26.89,11.61,;26.89,10.07,;28.22,9.3,;28.22,12.38,;28.22,13.92,;29.76,11.61,;31.1,12.38,;31.1,13.92,;32.43,14.69,;33.76,13.92,;35.1,14.69,;35.1,16.23,;33.76,17,;32.43,16.23,;32.43,11.61,;32.43,10.07,;33.15,22.39,;31.82,23.16,;31.82,24.7,;33.15,25.47,;30.49,22.39,;30.49,20.85,;28.95,23.16,;27.61,22.39,;27.61,20.85,;26.28,20.08,;26.28,18.54,;24.94,20.85,;26.28,23.16,;26.28,24.7,;24.74,22.39,;23.4,23.16,;23.4,24.7,;22.07,25.47,;22.07,27.01,;20.74,27.78,;20.74,29.32,;22.07,22.39,;22.07,20.85,;20.53,23.16,;19.2,22.39,;19.2,20.85,;17.86,20.08,;17.86,18.54,;16.53,20.85,;17.86,23.16,;17.86,24.7,;16.32,22.39,;14.99,23.16,;13.66,22.39,;13.66,20.85,;12.12,23.16,;10.78,22.39,;10.78,20.85,;9.45,20.08,;9.45,18.54,;8.11,20.85,;9.45,23.16,;9.45,24.7,;7.91,22.39,;6.57,23.16,;6.57,24.7,;7.91,25.47,;5.24,25.47,;5.24,22.39,;3.91,23.16,;5.24,20.85,)| Show InChI InChI=1S/C134H202N40O40/c1-63(2)38-83(159-118(198)85(40-65(5)6)160-120(200)87(43-73-31-33-77(180)34-32-73)155-102(184)54-146-110(190)68(11)152-127(207)95(58-175)169-124(204)93(49-101(139)183)164-119(199)86(41-66(7)8)167-132(212)108(70(13)178)172-112(192)79(136)44-74-51-145-80-27-19-18-26-78(74)80)113(193)149-57-105(187)174-37-23-30-98(174)130(210)166-89(45-75-52-142-61-150-75)117(197)153-69(12)111(191)171-107(67(9)10)131(211)148-56-104(186)156-92(48-100(138)182)123(203)162-90(46-76-53-143-62-151-76)122(202)158-82(29-22-36-144-134(140)141)116(196)168-96(59-176)128(208)161-88(42-72-24-16-15-17-25-72)121(201)170-97(60-177)129(209)165-94(50-106(188)189)125(205)157-81(28-20-21-35-135)115(195)163-91(47-99(137)181)114(194)147-55-103(185)154-84(39-64(3)4)126(206)173-109(71(14)179)133(213)214/h15-19,24-27,31-34,51-53,61-71,79,81-98,107-109,145,175-180H,20-23,28-30,35-50,54-60,135-136H2,1-14H3,(H2,137,181)(H2,138,182)(H2,139,183)(H,142,150)(H,143,151)(H,146,190)(H,147,194)(H,148,211)(H,149,193)(H,152,207)(H,153,197)(H,154,185)(H,155,184)(H,156,186)(H,157,205)(H,158,202)(H,159,198)(H,160,200)(H,161,208)(H,162,203)(H,163,195)(H,164,199)(H,165,209)(H,166,210)(H,167,212)(H,168,196)(H,169,204)(H,170,201)(H,171,191)(H,172,192)(H,173,206)(H,188,189)(H,213,214)(H4,140,141,144)/t68-,69-,70+,71-,79-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,107-,108-,109-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP Ki Database									FEBS Lett 405: 285-90 (1997) Article DOI: 10.1016/s0014-5793(97)00196-8 BindingDB Entry DOI: 10.7270/Q2VH5MBC
					More data for this Ligand-Target Pair