Found 3 hits Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 1' and Ligand = 'BDBM85323' 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 |
|---|
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM85323
(LTT-SRIF28 | SRIF28-Leu8,D-Trp22,Tyr25)Show SMILES CC(C)CC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O)[C@@H](C)O)[C@@H](C)O)C(O)=O |wU:21.26,67.68,35.40,87.88,116.117,48.49,160.163,55.56,9.9,174.179,151.154,135.137,196.203,125.127,107.109,wD:213.222,216.225,5.5,29.32,78.79,98.99,14.13,63.65,185.191,147.220,131.223,43.44,204.211,121.226,(-16.57,1.7,;-17.92,2.51,;-19.01,1.42,;-17.87,4.04,;-19.22,4.85,;-19.16,6.39,;-20.51,7.2,;-21.88,6.44,;-21.88,4.9,;-23.18,7.25,;-23.18,8.79,;-24.55,6.47,;-25.85,7.28,;-25.85,8.81,;-27.22,6.52,;-27.22,5.01,;-28.11,4.29,;-28.51,5.79,;-28.51,7.33,;-29.89,6.6,;-29.89,5.07,;-31.18,7.41,;-31.18,8.95,;-29.81,9.68,;-29.75,11.21,;-28.51,8.87,;-32.56,6.63,;-33.85,7.44,;-33.85,8.97,;-35.22,6.68,;-35.31,5.15,;-33.93,4.34,;-36.6,7.49,;-37.92,6.76,;-37.92,5.17,;-39.16,7.52,;-39.16,9.06,;-38.41,10.4,;-39.08,11.78,;-36.92,10.4,;-40.53,6.76,;-41.83,7.57,;-41.83,9.14,;-43.2,6.85,;-43.26,5.31,;-44.55,7.65,;-45.87,6.87,;-45.87,5.31,;-47.16,7.65,;-48.59,6.93,;-47.16,9.19,;-45.79,10,;-17.84,7.17,;-17.79,8.71,;-16.49,6.36,;-15.17,7.09,;-15.12,8.65,;-13.83,6.31,;-13.88,4.74,;-12.45,7.09,;-12.5,5.5,;-12.1,4.02,;-11.16,4.69,;-11.13,6.28,;-9.78,7.01,;-9.76,8.54,;-8.46,6.23,;-7.11,6.95,;-7.09,8.49,;-5.71,9.27,;-5.71,10.81,;-4.37,11.53,;-4.34,13.07,;-2.99,13.88,;-5.66,13.88,;-5.79,6.14,;-5.82,4.61,;-4.45,6.93,;-3.13,6.12,;-3.15,4.58,;-1.83,3.77,;-1.83,2.24,;-3.21,1.46,;-.54,1.43,;-1.78,6.87,;-1.75,8.41,;-.46,6.06,;.92,6.79,;.92,8.33,;2.29,9.11,;2.29,10.65,;3.67,11.4,;3.67,12.94,;5.04,13.72,;2.37,13.72,;2.21,5.98,;2.18,4.45,;3.58,6.76,;4.88,5.96,;4.88,4.42,;3.56,3.61,;3.58,2.07,;2.26,1.29,;2.29,-.27,;6.25,6.71,;6.31,8.25,;7.6,5.9,;8.92,6.68,;8.97,8.22,;10.27,5.88,;10.21,4.34,;11.64,6.6,;12.94,5.82,;14.26,6.6,;14.34,8.14,;15.63,5.79,;15.55,4.26,;14.01,4.12,;12.53,3.77,;11.1,3.21,;9.81,2.34,;8.65,1.35,;7.68,.13,;6.9,-1.24,;5.53,-.59,;6.39,-2.7,;4.88,-2.26,;3.8,-3.34,;6.09,-4.2,;6.06,-5.74,;4.53,-5.85,;6.33,-7.22,;6.79,-8.76,;7.47,-10.11,;6.17,-10.94,;8.41,-11.35,;6.58,-12.94,;5.09,-12.45,;4.77,-10.94,;3.32,-10.46,;2.13,-11.48,;.64,-11.08,;2.45,-12.96,;3.91,-13.45,;9.54,-12.4,;10.83,-13.29,;10.05,-14.58,;12.24,-13.93,;13.69,-14.34,;15.23,-14.47,;15.23,-16.04,;16.76,-14.39,;17.01,-16.93,;15.79,-17.9,;16.04,-19.43,;14.82,-20.38,;15.07,-21.91,;18.3,-14.01,;19.67,-13.45,;20.4,-14.82,;21.05,-12.61,;22.5,-14.74,;22.32,-16.28,;23.39,-17.33,;22.75,-18.7,;21.21,-18.54,;20.05,-19.51,;18.62,-19,;18.3,-17.49,;19.51,-16.52,;20.94,-17.01,;22.18,-11.59,;23.15,-10.38,;24.44,-11.24,;23.93,-9.06,;26.3,-9.94,;26.47,-11.51,;25.17,-12.4,;25.33,-13.93,;26.76,-14.58,;28,-13.69,;27.84,-12.16,;24.44,-7.6,;24.74,-6.06,;26.22,-6.23,;24.77,-4.53,;26.28,-4.39,;28.41,-5.93,;27.73,-7.3,;28.57,-8.6,;30.1,-8.52,;30.75,-7.11,;29.94,-5.82,;24.53,-2.99,;24.04,-1.54,;25.47,-.92,;23.31,-.16,;24.61,.65,;25.98,-.03,;27.33,.78,;26.06,-1.62,;22.42,1.1,;21.29,2.16,;22.26,3.37,;20,2.99,;20.81,4.34,;22.34,4.37,;23.07,5.71,;24.61,5.71,;25.39,7.09,;18.62,3.64,;17.14,4.04,;17.41,5.58,;11.67,-15.39,;10.19,-15.63,;12.64,-16.52,;4.8,-7.63,;3.75,-6.47,;4.37,-9.08,;7.55,2.4,;6.06,1.94,;7.87,3.88,)| Show InChI InChI=1S/C139H211N41O40S2/c1-69(2)40-45-89(160-112(194)72(5)157-131(213)102-38-26-54-180(102)136(218)97(61-106(146)189)173-128(210)98(65-182)174-126(208)95(59-104(144)187)167-113(195)71(4)155-114(196)82(143)64-181)116(198)158-73(6)135(217)179-53-25-39-103(179)132(214)166-88(37-24-52-152-139(149)150)118(200)165-90(46-47-108(191)192)120(202)162-87(36-23-51-151-138(147)148)117(199)161-84(33-17-20-48-140)115(197)156-70(3)111(193)154-63-107(190)159-100-67-221-222-68-101(137(219)220)176-129(211)99(66-183)175-134(216)110(75(8)185)178-127(209)93(57-78-41-43-80(186)44-42-78)172-133(215)109(74(7)184)177-121(203)86(35-19-22-50-142)163-124(206)94(58-79-62-153-83-32-16-15-31-81(79)83)170-123(205)92(56-77-29-13-10-14-30-77)168-122(204)91(55-76-27-11-9-12-28-76)169-125(207)96(60-105(145)188)171-119(201)85(164-130(100)212)34-18-21-49-141/h9-16,27-32,41-44,62,69-75,82,84-103,109-110,153,181-186H,17-26,33-40,45-61,63-68,140-143H2,1-8H3,(H2,144,187)(H2,145,188)(H2,146,189)(H,154,193)(H,155,196)(H,156,197)(H,157,213)(H,158,198)(H,159,190)(H,160,194)(H,161,199)(H,162,202)(H,163,206)(H,164,212)(H,165,200)(H,166,214)(H,167,195)(H,168,204)(H,169,207)(H,170,205)(H,171,201)(H,172,215)(H,173,210)(H,174,208)(H,175,216)(H,176,211)(H,177,203)(H,178,209)(H,191,192)(H,219,220)(H4,147,148,151)(H4,149,150,152)/t70-,71-,72-,73-,74+,75+,82-,84-,85+,86-,87-,88-,89-,90-,91+,92-,93-,94-,95-,96-,97-,98-,99-,100+,101-,102-,103-,109+,110+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)
Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM85323
(LTT-SRIF28 | SRIF28-Leu8,D-Trp22,Tyr25)Show SMILES CC(C)CC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O)[C@@H](C)O)[C@@H](C)O)C(O)=O |wU:21.26,67.68,35.40,87.88,116.117,48.49,160.163,55.56,9.9,174.179,151.154,135.137,196.203,125.127,107.109,wD:213.222,216.225,5.5,29.32,78.79,98.99,14.13,63.65,185.191,147.220,131.223,43.44,204.211,121.226,(-16.57,1.7,;-17.92,2.51,;-19.01,1.42,;-17.87,4.04,;-19.22,4.85,;-19.16,6.39,;-20.51,7.2,;-21.88,6.44,;-21.88,4.9,;-23.18,7.25,;-23.18,8.79,;-24.55,6.47,;-25.85,7.28,;-25.85,8.81,;-27.22,6.52,;-27.22,5.01,;-28.11,4.29,;-28.51,5.79,;-28.51,7.33,;-29.89,6.6,;-29.89,5.07,;-31.18,7.41,;-31.18,8.95,;-29.81,9.68,;-29.75,11.21,;-28.51,8.87,;-32.56,6.63,;-33.85,7.44,;-33.85,8.97,;-35.22,6.68,;-35.31,5.15,;-33.93,4.34,;-36.6,7.49,;-37.92,6.76,;-37.92,5.17,;-39.16,7.52,;-39.16,9.06,;-38.41,10.4,;-39.08,11.78,;-36.92,10.4,;-40.53,6.76,;-41.83,7.57,;-41.83,9.14,;-43.2,6.85,;-43.26,5.31,;-44.55,7.65,;-45.87,6.87,;-45.87,5.31,;-47.16,7.65,;-48.59,6.93,;-47.16,9.19,;-45.79,10,;-17.84,7.17,;-17.79,8.71,;-16.49,6.36,;-15.17,7.09,;-15.12,8.65,;-13.83,6.31,;-13.88,4.74,;-12.45,7.09,;-12.5,5.5,;-12.1,4.02,;-11.16,4.69,;-11.13,6.28,;-9.78,7.01,;-9.76,8.54,;-8.46,6.23,;-7.11,6.95,;-7.09,8.49,;-5.71,9.27,;-5.71,10.81,;-4.37,11.53,;-4.34,13.07,;-2.99,13.88,;-5.66,13.88,;-5.79,6.14,;-5.82,4.61,;-4.45,6.93,;-3.13,6.12,;-3.15,4.58,;-1.83,3.77,;-1.83,2.24,;-3.21,1.46,;-.54,1.43,;-1.78,6.87,;-1.75,8.41,;-.46,6.06,;.92,6.79,;.92,8.33,;2.29,9.11,;2.29,10.65,;3.67,11.4,;3.67,12.94,;5.04,13.72,;2.37,13.72,;2.21,5.98,;2.18,4.45,;3.58,6.76,;4.88,5.96,;4.88,4.42,;3.56,3.61,;3.58,2.07,;2.26,1.29,;2.29,-.27,;6.25,6.71,;6.31,8.25,;7.6,5.9,;8.92,6.68,;8.97,8.22,;10.27,5.88,;10.21,4.34,;11.64,6.6,;12.94,5.82,;14.26,6.6,;14.34,8.14,;15.63,5.79,;15.55,4.26,;14.01,4.12,;12.53,3.77,;11.1,3.21,;9.81,2.34,;8.65,1.35,;7.68,.13,;6.9,-1.24,;5.53,-.59,;6.39,-2.7,;4.88,-2.26,;3.8,-3.34,;6.09,-4.2,;6.06,-5.74,;4.53,-5.85,;6.33,-7.22,;6.79,-8.76,;7.47,-10.11,;6.17,-10.94,;8.41,-11.35,;6.58,-12.94,;5.09,-12.45,;4.77,-10.94,;3.32,-10.46,;2.13,-11.48,;.64,-11.08,;2.45,-12.96,;3.91,-13.45,;9.54,-12.4,;10.83,-13.29,;10.05,-14.58,;12.24,-13.93,;13.69,-14.34,;15.23,-14.47,;15.23,-16.04,;16.76,-14.39,;17.01,-16.93,;15.79,-17.9,;16.04,-19.43,;14.82,-20.38,;15.07,-21.91,;18.3,-14.01,;19.67,-13.45,;20.4,-14.82,;21.05,-12.61,;22.5,-14.74,;22.32,-16.28,;23.39,-17.33,;22.75,-18.7,;21.21,-18.54,;20.05,-19.51,;18.62,-19,;18.3,-17.49,;19.51,-16.52,;20.94,-17.01,;22.18,-11.59,;23.15,-10.38,;24.44,-11.24,;23.93,-9.06,;26.3,-9.94,;26.47,-11.51,;25.17,-12.4,;25.33,-13.93,;26.76,-14.58,;28,-13.69,;27.84,-12.16,;24.44,-7.6,;24.74,-6.06,;26.22,-6.23,;24.77,-4.53,;26.28,-4.39,;28.41,-5.93,;27.73,-7.3,;28.57,-8.6,;30.1,-8.52,;30.75,-7.11,;29.94,-5.82,;24.53,-2.99,;24.04,-1.54,;25.47,-.92,;23.31,-.16,;24.61,.65,;25.98,-.03,;27.33,.78,;26.06,-1.62,;22.42,1.1,;21.29,2.16,;22.26,3.37,;20,2.99,;20.81,4.34,;22.34,4.37,;23.07,5.71,;24.61,5.71,;25.39,7.09,;18.62,3.64,;17.14,4.04,;17.41,5.58,;11.67,-15.39,;10.19,-15.63,;12.64,-16.52,;4.8,-7.63,;3.75,-6.47,;4.37,-9.08,;7.55,2.4,;6.06,1.94,;7.87,3.88,)| Show InChI InChI=1S/C139H211N41O40S2/c1-69(2)40-45-89(160-112(194)72(5)157-131(213)102-38-26-54-180(102)136(218)97(61-106(146)189)173-128(210)98(65-182)174-126(208)95(59-104(144)187)167-113(195)71(4)155-114(196)82(143)64-181)116(198)158-73(6)135(217)179-53-25-39-103(179)132(214)166-88(37-24-52-152-139(149)150)118(200)165-90(46-47-108(191)192)120(202)162-87(36-23-51-151-138(147)148)117(199)161-84(33-17-20-48-140)115(197)156-70(3)111(193)154-63-107(190)159-100-67-221-222-68-101(137(219)220)176-129(211)99(66-183)175-134(216)110(75(8)185)178-127(209)93(57-78-41-43-80(186)44-42-78)172-133(215)109(74(7)184)177-121(203)86(35-19-22-50-142)163-124(206)94(58-79-62-153-83-32-16-15-31-81(79)83)170-123(205)92(56-77-29-13-10-14-30-77)168-122(204)91(55-76-27-11-9-12-28-76)169-125(207)96(60-105(145)188)171-119(201)85(164-130(100)212)34-18-21-49-141/h9-16,27-32,41-44,62,69-75,82,84-103,109-110,153,181-186H,17-26,33-40,45-61,63-68,140-143H2,1-8H3,(H2,144,187)(H2,145,188)(H2,146,189)(H,154,193)(H,155,196)(H,156,197)(H,157,213)(H,158,198)(H,159,190)(H,160,194)(H,161,199)(H,162,202)(H,163,206)(H,164,212)(H,165,200)(H,166,214)(H,167,195)(H,168,204)(H,169,207)(H,170,205)(H,171,201)(H,172,215)(H,173,210)(H,174,208)(H,175,216)(H,176,211)(H,177,203)(H,178,209)(H,191,192)(H,219,220)(H4,147,148,151)(H4,149,150,152)/t70-,71-,72-,73-,74+,75+,82-,84-,85+,86-,87-,88-,89-,90-,91+,92-,93-,94-,95-,96-,97-,98-,99-,100+,101-,102-,103-,109+,110+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)
Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM85323
(LTT-SRIF28 | SRIF28-Leu8,D-Trp22,Tyr25)Show SMILES CC(C)CC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O)[C@@H](C)O)[C@@H](C)O)C(O)=O |wU:21.26,67.68,35.40,87.88,116.117,48.49,160.163,55.56,9.9,174.179,151.154,135.137,196.203,125.127,107.109,wD:213.222,216.225,5.5,29.32,78.79,98.99,14.13,63.65,185.191,147.220,131.223,43.44,204.211,121.226,(-16.57,1.7,;-17.92,2.51,;-19.01,1.42,;-17.87,4.04,;-19.22,4.85,;-19.16,6.39,;-20.51,7.2,;-21.88,6.44,;-21.88,4.9,;-23.18,7.25,;-23.18,8.79,;-24.55,6.47,;-25.85,7.28,;-25.85,8.81,;-27.22,6.52,;-27.22,5.01,;-28.11,4.29,;-28.51,5.79,;-28.51,7.33,;-29.89,6.6,;-29.89,5.07,;-31.18,7.41,;-31.18,8.95,;-29.81,9.68,;-29.75,11.21,;-28.51,8.87,;-32.56,6.63,;-33.85,7.44,;-33.85,8.97,;-35.22,6.68,;-35.31,5.15,;-33.93,4.34,;-36.6,7.49,;-37.92,6.76,;-37.92,5.17,;-39.16,7.52,;-39.16,9.06,;-38.41,10.4,;-39.08,11.78,;-36.92,10.4,;-40.53,6.76,;-41.83,7.57,;-41.83,9.14,;-43.2,6.85,;-43.26,5.31,;-44.55,7.65,;-45.87,6.87,;-45.87,5.31,;-47.16,7.65,;-48.59,6.93,;-47.16,9.19,;-45.79,10,;-17.84,7.17,;-17.79,8.71,;-16.49,6.36,;-15.17,7.09,;-15.12,8.65,;-13.83,6.31,;-13.88,4.74,;-12.45,7.09,;-12.5,5.5,;-12.1,4.02,;-11.16,4.69,;-11.13,6.28,;-9.78,7.01,;-9.76,8.54,;-8.46,6.23,;-7.11,6.95,;-7.09,8.49,;-5.71,9.27,;-5.71,10.81,;-4.37,11.53,;-4.34,13.07,;-2.99,13.88,;-5.66,13.88,;-5.79,6.14,;-5.82,4.61,;-4.45,6.93,;-3.13,6.12,;-3.15,4.58,;-1.83,3.77,;-1.83,2.24,;-3.21,1.46,;-.54,1.43,;-1.78,6.87,;-1.75,8.41,;-.46,6.06,;.92,6.79,;.92,8.33,;2.29,9.11,;2.29,10.65,;3.67,11.4,;3.67,12.94,;5.04,13.72,;2.37,13.72,;2.21,5.98,;2.18,4.45,;3.58,6.76,;4.88,5.96,;4.88,4.42,;3.56,3.61,;3.58,2.07,;2.26,1.29,;2.29,-.27,;6.25,6.71,;6.31,8.25,;7.6,5.9,;8.92,6.68,;8.97,8.22,;10.27,5.88,;10.21,4.34,;11.64,6.6,;12.94,5.82,;14.26,6.6,;14.34,8.14,;15.63,5.79,;15.55,4.26,;14.01,4.12,;12.53,3.77,;11.1,3.21,;9.81,2.34,;8.65,1.35,;7.68,.13,;6.9,-1.24,;5.53,-.59,;6.39,-2.7,;4.88,-2.26,;3.8,-3.34,;6.09,-4.2,;6.06,-5.74,;4.53,-5.85,;6.33,-7.22,;6.79,-8.76,;7.47,-10.11,;6.17,-10.94,;8.41,-11.35,;6.58,-12.94,;5.09,-12.45,;4.77,-10.94,;3.32,-10.46,;2.13,-11.48,;.64,-11.08,;2.45,-12.96,;3.91,-13.45,;9.54,-12.4,;10.83,-13.29,;10.05,-14.58,;12.24,-13.93,;13.69,-14.34,;15.23,-14.47,;15.23,-16.04,;16.76,-14.39,;17.01,-16.93,;15.79,-17.9,;16.04,-19.43,;14.82,-20.38,;15.07,-21.91,;18.3,-14.01,;19.67,-13.45,;20.4,-14.82,;21.05,-12.61,;22.5,-14.74,;22.32,-16.28,;23.39,-17.33,;22.75,-18.7,;21.21,-18.54,;20.05,-19.51,;18.62,-19,;18.3,-17.49,;19.51,-16.52,;20.94,-17.01,;22.18,-11.59,;23.15,-10.38,;24.44,-11.24,;23.93,-9.06,;26.3,-9.94,;26.47,-11.51,;25.17,-12.4,;25.33,-13.93,;26.76,-14.58,;28,-13.69,;27.84,-12.16,;24.44,-7.6,;24.74,-6.06,;26.22,-6.23,;24.77,-4.53,;26.28,-4.39,;28.41,-5.93,;27.73,-7.3,;28.57,-8.6,;30.1,-8.52,;30.75,-7.11,;29.94,-5.82,;24.53,-2.99,;24.04,-1.54,;25.47,-.92,;23.31,-.16,;24.61,.65,;25.98,-.03,;27.33,.78,;26.06,-1.62,;22.42,1.1,;21.29,2.16,;22.26,3.37,;20,2.99,;20.81,4.34,;22.34,4.37,;23.07,5.71,;24.61,5.71,;25.39,7.09,;18.62,3.64,;17.14,4.04,;17.41,5.58,;11.67,-15.39,;10.19,-15.63,;12.64,-16.52,;4.8,-7.63,;3.75,-6.47,;4.37,-9.08,;7.55,2.4,;6.06,1.94,;7.87,3.88,)| Show InChI InChI=1S/C139H211N41O40S2/c1-69(2)40-45-89(160-112(194)72(5)157-131(213)102-38-26-54-180(102)136(218)97(61-106(146)189)173-128(210)98(65-182)174-126(208)95(59-104(144)187)167-113(195)71(4)155-114(196)82(143)64-181)116(198)158-73(6)135(217)179-53-25-39-103(179)132(214)166-88(37-24-52-152-139(149)150)118(200)165-90(46-47-108(191)192)120(202)162-87(36-23-51-151-138(147)148)117(199)161-84(33-17-20-48-140)115(197)156-70(3)111(193)154-63-107(190)159-100-67-221-222-68-101(137(219)220)176-129(211)99(66-183)175-134(216)110(75(8)185)178-127(209)93(57-78-41-43-80(186)44-42-78)172-133(215)109(74(7)184)177-121(203)86(35-19-22-50-142)163-124(206)94(58-79-62-153-83-32-16-15-31-81(79)83)170-123(205)92(56-77-29-13-10-14-30-77)168-122(204)91(55-76-27-11-9-12-28-76)169-125(207)96(60-105(145)188)171-119(201)85(164-130(100)212)34-18-21-49-141/h9-16,27-32,41-44,62,69-75,82,84-103,109-110,153,181-186H,17-26,33-40,45-61,63-68,140-143H2,1-8H3,(H2,144,187)(H2,145,188)(H2,146,189)(H,154,193)(H,155,196)(H,156,197)(H,157,213)(H,158,198)(H,159,190)(H,160,194)(H,161,199)(H,162,202)(H,163,206)(H,164,212)(H,165,200)(H,166,214)(H,167,195)(H,168,204)(H,169,207)(H,170,205)(H,171,201)(H,172,215)(H,173,210)(H,174,208)(H,175,216)(H,176,211)(H,177,203)(H,178,209)(H,191,192)(H,219,220)(H4,147,148,151)(H4,149,150,152)/t70-,71-,72-,73-,74+,75+,82-,84-,85+,86-,87-,88-,89-,90-,91+,92-,93-,94-,95-,96-,97-,98-,99-,100+,101-,102-,103-,109+,110+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)
Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW |
More data for this
Ligand-Target Pair | |
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