Found 701 hits with Last Name = 'lynch' and Initial = 's' 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 |
|---|
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50274953
(5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitri...)Show InChI InChI=1S/C20H19N3/c21-13-18-11-16-10-17(6-7-19(16)23-18)20(8-9-22-14-20)12-15-4-2-1-3-5-15/h1-7,10-11,22-23H,8-9,12,14H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82279
(CAS_118997-30-1 | PYY, human)Show SMILES CCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)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 Show InChI InChI=1S/C193H294N54O59/c1-17-99(12)154(242-181(295)141-35-25-73-245(141)187(301)115(195)80-104-37-47-110(251)48-38-104)184(298)226-125(28-18-19-67-194)188(302)246-74-26-34-140(246)180(294)223-122(59-64-149(262)263)158(272)216-102(15)186(300)244-72-24-33-139(244)179(293)212-90-146(259)217-120(58-63-148(260)261)163(277)237-136(88-152(268)269)168(282)215-101(14)157(271)240-147(92-249)306(305)247-75-27-36-142(247)182(296)224-124(61-66-151(266)267)165(279)222-123(60-65-150(264)265)166(280)227-127(77-95(4)5)170(284)235-134(86-144(197)257)175(289)220-116(29-20-68-208-190(199)200)160(274)231-131(82-106-41-51-112(253)52-42-106)173(287)232-130(81-105-39-49-111(252)50-40-105)167(281)214-100(13)156(270)239-138(91-248)178(292)230-126(76-94(2)3)169(283)219-117(30-21-69-209-191(201)202)161(275)234-133(85-109-89-207-93-213-109)174(288)233-132(83-107-43-53-113(254)54-44-107)172(286)228-128(78-96(6)7)171(285)236-135(87-145(198)258)176(290)229-129(79-97(8)9)177(291)241-153(98(10)11)183(297)243-155(103(16)250)185(299)225-119(32-23-71-211-193(205)206)159(273)221-121(57-62-143(196)256)164(278)218-118(31-22-70-210-192(203)204)162(276)238-137(189(303)304)84-108-45-55-114(255)56-46-108/h37-56,89,93-103,115-142,147,153-155,248-255H,17-36,57-88,90-92,194-195H2,1-16H3,(H2,196,256)(H2,197,257)(H2,198,258)(H,207,213)(H,212,293)(H,214,281)(H,215,282)(H,216,272)(H,217,259)(H,218,278)(H,219,283)(H,220,289)(H,221,273)(H,222,279)(H,223,294)(H,224,296)(H,225,299)(H,226,298)(H,227,280)(H,228,286)(H,229,290)(H,230,292)(H,231,274)(H,232,287)(H,233,288)(H,234,275)(H,235,284)(H,236,285)(H,237,277)(H,238,276)(H,239,270)(H,240,271)(H,241,291)(H,242,295)(H,243,297)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,303,304)(H4,199,200,208)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)/t99?,100-,101-,102-,103+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,147+,153-,154-,155-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
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 |
Bristol Myers Squibb
Curated by PDSP Ki Database
| |
J Biol Chem 270: 22661-4 (1995)
Article DOI: 10.1074/jbc.270.39.22661
BindingDB Entry DOI: 10.7270/Q2TT4PGD |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82277
(NPY2-36, human | NPY2-36, rat, human)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)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(N)=O Show InChI InChI=1S/C180H276N54O55S/c1-15-88(7)140(171(284)225-121(76-132(183)243)161(274)217-116(70-87(5)6)164(277)230-141(89(8)16-2)172(285)231-142(94(13)237)173(286)213-108(32-23-64-199-180(192)193)149(262)211-110(52-55-131(182)242)154(267)209-106(30-21-62-197-178(188)189)150(263)215-114(143(185)256)71-95-36-44-100(238)45-37-95)229-165(278)119(74-98-42-50-103(241)51-43-98)220-160(273)120(75-99-81-194-85-201-99)221-152(265)107(31-22-63-198-179(190)191)210-157(270)115(69-86(3)4)216-146(259)91(10)203-166(279)126(83-235)228-159(272)118(73-97-40-48-102(240)49-41-97)219-158(271)117(72-96-38-46-101(239)47-39-96)218-151(264)105(29-20-61-196-177(186)187)207-144(257)90(9)202-148(261)112(58-68-290-14)212-162(275)123(79-138(252)253)223-155(268)111(54-57-136(248)249)208-145(258)92(11)204-169(282)129-34-25-65-232(129)174(287)93(12)205-156(269)122(78-137(250)251)222-153(266)109(53-56-135(246)247)206-134(245)82-200-168(281)128-33-24-66-233(128)176(289)125(77-133(184)244)226-163(276)124(80-139(254)255)224-170(283)130-35-26-67-234(130)175(288)113(27-17-18-59-181)214-167(280)127(84-236)227-147(260)104-28-19-60-195-104/h36-51,81,85-94,104-130,140-142,195,235-241H,15-35,52-80,82-84,181H2,1-14H3,(H2,182,242)(H2,183,243)(H2,184,244)(H2,185,256)(H,194,201)(H,200,281)(H,202,261)(H,203,279)(H,204,282)(H,205,269)(H,206,245)(H,207,257)(H,208,258)(H,209,267)(H,210,270)(H,211,262)(H,212,275)(H,213,286)(H,214,280)(H,215,263)(H,216,259)(H,217,274)(H,218,264)(H,219,271)(H,220,273)(H,221,265)(H,222,266)(H,223,268)(H,224,283)(H,225,284)(H,226,276)(H,227,260)(H,228,272)(H,229,278)(H,230,277)(H,231,285)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H4,186,187,196)(H4,188,189,197)(H4,190,191,198)(H4,192,193,199)/t88-,89-,90-,91-,92-,93-,94+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,140-,141-,142-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb
Curated by PDSP Ki Database
| |
J Biol Chem 270: 22661-4 (1995)
Article DOI: 10.1074/jbc.270.39.22661
BindingDB Entry DOI: 10.7270/Q2TT4PGD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50275439
(5-(3-benzylpyrrolidin-3-yl)-1H-indazole | CHEMBL52...)Show InChI InChI=1S/C18H19N3/c1-2-4-14(5-3-1)11-18(8-9-19-13-18)16-6-7-17-15(10-16)12-20-21-17/h1-7,10,12,19H,8-9,11,13H2,(H,20,21) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82279
(CAS_118997-30-1 | PYY, human)Show SMILES CCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)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 Show InChI InChI=1S/C193H294N54O59/c1-17-99(12)154(242-181(295)141-35-25-73-245(141)187(301)115(195)80-104-37-47-110(251)48-38-104)184(298)226-125(28-18-19-67-194)188(302)246-74-26-34-140(246)180(294)223-122(59-64-149(262)263)158(272)216-102(15)186(300)244-72-24-33-139(244)179(293)212-90-146(259)217-120(58-63-148(260)261)163(277)237-136(88-152(268)269)168(282)215-101(14)157(271)240-147(92-249)306(305)247-75-27-36-142(247)182(296)224-124(61-66-151(266)267)165(279)222-123(60-65-150(264)265)166(280)227-127(77-95(4)5)170(284)235-134(86-144(197)257)175(289)220-116(29-20-68-208-190(199)200)160(274)231-131(82-106-41-51-112(253)52-42-106)173(287)232-130(81-105-39-49-111(252)50-40-105)167(281)214-100(13)156(270)239-138(91-248)178(292)230-126(76-94(2)3)169(283)219-117(30-21-69-209-191(201)202)161(275)234-133(85-109-89-207-93-213-109)174(288)233-132(83-107-43-53-113(254)54-44-107)172(286)228-128(78-96(6)7)171(285)236-135(87-145(198)258)176(290)229-129(79-97(8)9)177(291)241-153(98(10)11)183(297)243-155(103(16)250)185(299)225-119(32-23-71-211-193(205)206)159(273)221-121(57-62-143(196)256)164(278)218-118(31-22-70-210-192(203)204)162(276)238-137(189(303)304)84-108-45-55-114(255)56-46-108/h37-56,89,93-103,115-142,147,153-155,248-255H,17-36,57-88,90-92,194-195H2,1-16H3,(H2,196,256)(H2,197,257)(H2,198,258)(H,207,213)(H,212,293)(H,214,281)(H,215,282)(H,216,272)(H,217,259)(H,218,278)(H,219,283)(H,220,289)(H,221,273)(H,222,279)(H,223,294)(H,224,296)(H,225,299)(H,226,298)(H,227,280)(H,228,286)(H,229,290)(H,230,292)(H,231,274)(H,232,287)(H,233,288)(H,234,275)(H,235,284)(H,236,285)(H,237,277)(H,238,276)(H,239,270)(H,240,271)(H,241,291)(H,242,295)(H,243,297)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,303,304)(H4,199,200,208)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)/t99?,100-,101-,102-,103+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,147+,153-,154-,155-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb
Curated by PDSP Ki Database
| |
J Biol Chem 270: 22661-4 (1995)
Article DOI: 10.1074/jbc.270.39.22661
BindingDB Entry DOI: 10.7270/Q2TT4PGD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50274951
(5-(3-benzylpyrrolidin-3-yl)-1-methyl-1H-indole | C...)Show InChI InChI=1S/C20H22N2/c1-22-12-9-17-13-18(7-8-19(17)22)20(10-11-21-15-20)14-16-5-3-2-4-6-16/h2-9,12-13,21H,10-11,14-15H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50274954
(5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxamid...)Show InChI InChI=1S/C20H21N3O/c21-19(24)18-11-15-10-16(6-7-17(15)23-18)20(8-9-22-13-20)12-14-4-2-1-3-5-14/h1-7,10-11,22-23H,8-9,12-13H2,(H2,21,24) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50015490
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)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(N)=O Show InChI InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,148-,149-,150-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb
Curated by PDSP Ki Database
| |
J Biol Chem 270: 22661-4 (1995)
Article DOI: 10.1074/jbc.270.39.22661
BindingDB Entry DOI: 10.7270/Q2TT4PGD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50275440
(3-(benzo[b]thiophen-5-yl)-3-benzylpyrrolidine | CH...)Show InChI InChI=1S/C19H19NS/c1-2-4-15(5-3-1)13-19(9-10-20-14-19)17-6-7-18-16(12-17)8-11-21-18/h1-8,11-12,20H,9-10,13-14H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82277
(NPY2-36, human | NPY2-36, rat, human)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)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(N)=O Show InChI InChI=1S/C180H276N54O55S/c1-15-88(7)140(171(284)225-121(76-132(183)243)161(274)217-116(70-87(5)6)164(277)230-141(89(8)16-2)172(285)231-142(94(13)237)173(286)213-108(32-23-64-199-180(192)193)149(262)211-110(52-55-131(182)242)154(267)209-106(30-21-62-197-178(188)189)150(263)215-114(143(185)256)71-95-36-44-100(238)45-37-95)229-165(278)119(74-98-42-50-103(241)51-43-98)220-160(273)120(75-99-81-194-85-201-99)221-152(265)107(31-22-63-198-179(190)191)210-157(270)115(69-86(3)4)216-146(259)91(10)203-166(279)126(83-235)228-159(272)118(73-97-40-48-102(240)49-41-97)219-158(271)117(72-96-38-46-101(239)47-39-96)218-151(264)105(29-20-61-196-177(186)187)207-144(257)90(9)202-148(261)112(58-68-290-14)212-162(275)123(79-138(252)253)223-155(268)111(54-57-136(248)249)208-145(258)92(11)204-169(282)129-34-25-65-232(129)174(287)93(12)205-156(269)122(78-137(250)251)222-153(266)109(53-56-135(246)247)206-134(245)82-200-168(281)128-33-24-66-233(128)176(289)125(77-133(184)244)226-163(276)124(80-139(254)255)224-170(283)130-35-26-67-234(130)175(288)113(27-17-18-59-181)214-167(280)127(84-236)227-147(260)104-28-19-60-195-104/h36-51,81,85-94,104-130,140-142,195,235-241H,15-35,52-80,82-84,181H2,1-14H3,(H2,182,242)(H2,183,243)(H2,184,244)(H2,185,256)(H,194,201)(H,200,281)(H,202,261)(H,203,279)(H,204,282)(H,205,269)(H,206,245)(H,207,257)(H,208,258)(H,209,267)(H,210,270)(H,211,262)(H,212,275)(H,213,286)(H,214,280)(H,215,263)(H,216,259)(H,217,274)(H,218,264)(H,219,271)(H,220,273)(H,221,265)(H,222,266)(H,223,268)(H,224,283)(H,225,284)(H,226,276)(H,227,260)(H,228,272)(H,229,278)(H,230,277)(H,231,285)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H4,186,187,196)(H4,188,189,197)(H4,190,191,198)(H4,192,193,199)/t88-,89-,90-,91-,92-,93-,94+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,140-,141-,142-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb
Curated by PDSP Ki Database
| |
J Biol Chem 270: 22661-4 (1995)
Article DOI: 10.1074/jbc.270.39.22661
BindingDB Entry DOI: 10.7270/Q2TT4PGD |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50015490
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)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(N)=O Show InChI InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,148-,149-,150-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb
Curated by PDSP Ki Database
| |
J Biol Chem 270: 22661-4 (1995)
Article DOI: 10.1074/jbc.270.39.22661
BindingDB Entry DOI: 10.7270/Q2TT4PGD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50274952
(CHEMBL512551 | ethyl 5-(3-benzylpyrrolidin-3-yl)-1...)Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1 Show InChI InChI=1S/C22H24N2O2/c1-2-26-21(25)20-13-17-12-18(8-9-19(17)24-20)22(10-11-23-15-22)14-16-6-4-3-5-7-16/h3-9,12-13,23-24H,2,10-11,14-15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50274951
(5-(3-benzylpyrrolidin-3-yl)-1-methyl-1H-indole | C...)Show InChI InChI=1S/C20H22N2/c1-22-12-9-17-13-18(7-8-19(17)22)20(10-11-21-15-20)14-16-5-3-2-4-6-16/h2-9,12-13,21H,10-11,14-15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50274976
(5-(3-benzylpyrrolidin-3-yl)-1H-indole-3-carbonitri...)Show InChI InChI=1S/C20H19N3/c21-12-16-13-23-19-7-6-17(10-18(16)19)20(8-9-22-14-20)11-15-4-2-1-3-5-15/h1-7,10,13,22-23H,8-9,11,14H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50275439
(5-(3-benzylpyrrolidin-3-yl)-1H-indazole | CHEMBL52...)Show InChI InChI=1S/C18H19N3/c1-2-4-14(5-3-1)11-18(8-9-19-13-18)16-6-7-17-15(10-16)12-20-21-17/h1-7,10,12,19H,8-9,11,13H2,(H,20,21) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82278
(NPY3-36)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)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(N)=O Show InChI InChI=1S/C175H269N53O54S/c1-15-85(7)136(166(277)220-118(73-128(179)237)157(268)212-113(67-84(5)6)160(271)224-137(86(8)16-2)167(278)225-138(91(13)231)168(279)208-105(30-22-61-194-175(188)189)145(256)206-107(50-53-127(178)236)150(261)204-103(28-20-59-192-173(184)185)146(257)210-111(139(181)250)68-92-34-42-97(232)43-35-92)223-161(272)116(71-95-40-48-100(235)49-41-95)215-156(267)117(72-96-78-190-82-196-96)216-148(259)104(29-21-60-193-174(186)187)205-153(264)112(66-83(3)4)211-142(253)88(10)198-162(273)123(81-230)222-155(266)115(70-94-38-46-99(234)47-39-94)214-154(265)114(69-93-36-44-98(233)45-37-93)213-147(258)102(27-19-58-191-172(182)183)202-140(251)87(9)197-144(255)109(56-65-283-14)207-158(269)120(76-134(246)247)218-151(262)108(52-55-132(242)243)203-141(252)89(11)199-164(275)125-32-24-62-226(125)169(280)90(12)200-152(263)119(75-133(244)245)217-149(260)106(51-54-131(240)241)201-130(239)79-195-163(274)124-31-23-63-227(124)171(282)122(74-129(180)238)221-159(270)121(77-135(248)249)219-165(276)126-33-25-64-228(126)170(281)110(26-17-18-57-176)209-143(254)101(177)80-229/h34-49,78,82-91,101-126,136-138,229-235H,15-33,50-77,79-81,176-177H2,1-14H3,(H2,178,236)(H2,179,237)(H2,180,238)(H2,181,250)(H,190,196)(H,195,274)(H,197,255)(H,198,273)(H,199,275)(H,200,263)(H,201,239)(H,202,251)(H,203,252)(H,204,261)(H,205,264)(H,206,256)(H,207,269)(H,208,279)(H,209,254)(H,210,257)(H,211,253)(H,212,268)(H,213,258)(H,214,265)(H,215,267)(H,216,259)(H,217,260)(H,218,262)(H,219,276)(H,220,277)(H,221,270)(H,222,266)(H,223,272)(H,224,271)(H,225,278)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H4,182,183,191)(H4,184,185,192)(H4,186,187,193)(H4,188,189,194)/t85-,86-,87-,88-,89-,90-,91+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,136-,137-,138-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
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| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb
Curated by PDSP Ki Database
| |
J Biol Chem 270: 22661-4 (1995)
Article DOI: 10.1074/jbc.270.39.22661
BindingDB Entry DOI: 10.7270/Q2TT4PGD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50275438
((+)-5-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-5-...)Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-6-7-18-16(12-17)8-10-21-18/h1-8,10,12,20-21H,9,11,13-14H2 | PDB
KEGG
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| CHEMBL
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50275440
(3-(benzo[b]thiophen-5-yl)-3-benzylpyrrolidine | CH...)Show InChI InChI=1S/C19H19NS/c1-2-4-15(5-3-1)13-19(9-10-20-14-19)17-6-7-18-16(12-17)8-11-21-18/h1-8,11-12,20H,9-10,13-14H2 | PDB
KEGG
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| CHEMBL
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| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50274921
(5-(3-(4-fluorobenzyl)pyrrolidin-3-yl)-1H-indole | ...)Show InChI InChI=1S/C19H19FN2/c20-17-4-1-14(2-5-17)12-19(8-10-21-13-19)16-3-6-18-15(11-16)7-9-22-18/h1-7,9,11,21-22H,8,10,12-13H2 | Reactome pathway
KEGG
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50274920
(5-(3-(pyridin-2-ylmethyl)pyrrolidin-3-yl)-1H-indol...)Show InChI InChI=1S/C18H19N3/c1-2-8-20-16(3-1)12-18(7-10-19-13-18)15-4-5-17-14(11-15)6-9-21-17/h1-6,8-9,11,19,21H,7,10,12-13H2 | Reactome pathway
KEGG
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| CHEMBL
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PC sid
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| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50274918
((+)-6-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-6-...)Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-7-6-16-8-10-21-18(16)12-17/h1-8,10,12,20-21H,9,11,13-14H2 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50274979
(5-(3-butylpyrrolidin-3-yl)-1H-indole | CHEMBL46358...)Show InChI InChI=1S/C16H22N2/c1-2-3-7-16(8-10-17-12-16)14-4-5-15-13(11-14)6-9-18-15/h4-6,9,11,17-18H,2-3,7-8,10,12H2,1H3 | Reactome pathway
KEGG
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| CHEMBL
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UniChem
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| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50275378
(3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine ...)Show InChI InChI=1S/C18H20N2/c1-19-12-11-15(14-7-3-2-4-8-14)17-13-20-18-10-6-5-9-16(17)18/h2-10,13,15,19-20H,11-12H2,1H3 | PDB
KEGG
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| CHEMBL
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| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50274954
(5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxamid...)Show InChI InChI=1S/C20H21N3O/c21-19(24)18-11-15-10-16(6-7-17(15)23-18)20(8-9-22-13-20)12-14-4-2-1-3-5-14/h1-7,10-11,22-23H,8-9,12-13H2,(H2,21,24) | Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50274951
(5-(3-benzylpyrrolidin-3-yl)-1-methyl-1H-indole | C...)Show InChI InChI=1S/C20H22N2/c1-22-12-9-17-13-18(7-8-19(17)22)20(10-11-21-15-20)14-16-5-3-2-4-6-16/h2-9,12-13,21H,10-11,14-15H2,1H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of DAT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50274975
(5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole...)Show SMILES CN(C)C(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1 Show InChI InChI=1S/C22H25N3O/c1-25(2)21(26)20-13-17-12-18(8-9-19(17)24-20)22(10-11-23-15-22)14-16-6-4-3-5-7-16/h3-9,12-13,23-24H,10-11,14-15H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50274953
(5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitri...)Show InChI InChI=1S/C20H19N3/c21-13-18-11-16-10-17(6-7-19(16)23-18)20(8-9-22-14-20)12-15-4-2-1-3-5-15/h1-7,10-11,22-23H,8-9,12,14H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50274949
(5-(3-(3-methoxybenzyl)pyrrolidin-3-yl)-1H-indole |...)Show InChI InChI=1S/C20H22N2O/c1-23-18-4-2-3-15(11-18)13-20(8-10-21-14-20)17-5-6-19-16(12-17)7-9-22-19/h2-7,9,11-12,21-22H,8,10,13-14H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82278
(NPY3-36)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)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(N)=O Show InChI InChI=1S/C175H269N53O54S/c1-15-85(7)136(166(277)220-118(73-128(179)237)157(268)212-113(67-84(5)6)160(271)224-137(86(8)16-2)167(278)225-138(91(13)231)168(279)208-105(30-22-61-194-175(188)189)145(256)206-107(50-53-127(178)236)150(261)204-103(28-20-59-192-173(184)185)146(257)210-111(139(181)250)68-92-34-42-97(232)43-35-92)223-161(272)116(71-95-40-48-100(235)49-41-95)215-156(267)117(72-96-78-190-82-196-96)216-148(259)104(29-21-60-193-174(186)187)205-153(264)112(66-83(3)4)211-142(253)88(10)198-162(273)123(81-230)222-155(266)115(70-94-38-46-99(234)47-39-94)214-154(265)114(69-93-36-44-98(233)45-37-93)213-147(258)102(27-19-58-191-172(182)183)202-140(251)87(9)197-144(255)109(56-65-283-14)207-158(269)120(76-134(246)247)218-151(262)108(52-55-132(242)243)203-141(252)89(11)199-164(275)125-32-24-62-226(125)169(280)90(12)200-152(263)119(75-133(244)245)217-149(260)106(51-54-131(240)241)201-130(239)79-195-163(274)124-31-23-63-227(124)171(282)122(74-129(180)238)221-159(270)121(77-135(248)249)219-165(276)126-33-25-64-228(126)170(281)110(26-17-18-57-176)209-143(254)101(177)80-229/h34-49,78,82-91,101-126,136-138,229-235H,15-33,50-77,79-81,176-177H2,1-14H3,(H2,178,236)(H2,179,237)(H2,180,238)(H2,181,250)(H,190,196)(H,195,274)(H,197,255)(H,198,273)(H,199,275)(H,200,263)(H,201,239)(H,202,251)(H,203,252)(H,204,261)(H,205,264)(H,206,256)(H,207,269)(H,208,279)(H,209,254)(H,210,257)(H,211,253)(H,212,268)(H,213,258)(H,214,265)(H,215,267)(H,216,259)(H,217,260)(H,218,262)(H,219,276)(H,220,277)(H,221,270)(H,222,266)(H,223,272)(H,224,271)(H,225,278)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H4,182,183,191)(H4,184,185,192)(H4,186,187,193)(H4,188,189,194)/t85-,86-,87-,88-,89-,90-,91+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,136-,137-,138-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb
Curated by PDSP Ki Database
| |
J Biol Chem 270: 22661-4 (1995)
Article DOI: 10.1074/jbc.270.39.22661
BindingDB Entry DOI: 10.7270/Q2TT4PGD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50274950
(5-(3-phenethylpyrrolidin-3-yl)-1H-indole | CHEMBL5...)Show InChI InChI=1S/C20H22N2/c1-2-4-16(5-3-1)8-10-20(11-13-21-15-20)18-6-7-19-17(14-18)9-12-22-19/h1-7,9,12,14,21-22H,8,10-11,13,15H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50274974
(5-(3-benzylpyrrolidin-3-yl)-N-methyl-1H-indole-2-c...)Show SMILES CNC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1 Show InChI InChI=1S/C21H23N3O/c1-22-20(25)19-12-16-11-17(7-8-18(16)24-19)21(9-10-23-14-21)13-15-5-3-2-4-6-15/h2-8,11-12,23-24H,9-10,13-14H2,1H3,(H,22,25) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50274921
(5-(3-(4-fluorobenzyl)pyrrolidin-3-yl)-1H-indole | ...)Show InChI InChI=1S/C19H19FN2/c20-17-4-1-14(2-5-17)12-19(8-10-21-13-19)16-3-6-18-15(11-16)7-9-22-18/h1-7,9,11,21-22H,8,10,12-13H2 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50275440
(3-(benzo[b]thiophen-5-yl)-3-benzylpyrrolidine | CH...)Show InChI InChI=1S/C19H19NS/c1-2-4-15(5-3-1)13-19(9-10-20-14-19)17-6-7-18-16(12-17)8-11-21-18/h1-8,11-12,20H,9-10,13-14H2 | NCI pathway
Reactome pathway
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of DAT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50274950
(5-(3-phenethylpyrrolidin-3-yl)-1H-indole | CHEMBL5...)Show InChI InChI=1S/C20H22N2/c1-2-4-16(5-3-1)8-10-20(11-13-21-15-20)18-6-7-19-17(14-18)9-12-22-19/h1-7,9,12,14,21-22H,8,10-11,13,15H2 | Reactome pathway
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50274979
(5-(3-butylpyrrolidin-3-yl)-1H-indole | CHEMBL46358...)Show InChI InChI=1S/C16H22N2/c1-2-3-7-16(8-10-17-12-16)14-4-5-15-13(11-14)6-9-18-15/h4-6,9,11,17-18H,2-3,7-8,10,12H2,1H3 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50275438
((+)-5-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-5-...)Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-6-7-18-16(12-17)8-10-21-18/h1-8,10,12,20-21H,9,11,13-14H2 | Reactome pathway
KEGG
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50275438
((+)-5-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-5-...)Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-6-7-18-16(12-17)8-10-21-18/h1-8,10,12,20-21H,9,11,13-14H2 | Reactome pathway
KEGG
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50274954
(5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxamid...)Show InChI InChI=1S/C20H21N3O/c21-19(24)18-11-15-10-16(6-7-17(15)23-18)20(8-9-22-13-20)12-14-4-2-1-3-5-14/h1-7,10-11,22-23H,8-9,12-13H2,(H2,21,24) | NCI pathway
Reactome pathway
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of DAT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50274952
(CHEMBL512551 | ethyl 5-(3-benzylpyrrolidin-3-yl)-1...)Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1 Show InChI InChI=1S/C22H24N2O2/c1-2-26-21(25)20-13-17-12-18(8-9-19(17)24-20)22(10-11-23-15-22)14-16-6-4-3-5-7-16/h3-9,12-13,23-24H,2,10-11,14-15H2,1H3 | Reactome pathway
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50274918
((+)-6-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-6-...)Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-7-6-16-8-10-21-18(16)12-17/h1-8,10,12,20-21H,9,11,13-14H2 | NCI pathway
Reactome pathway
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of DAT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50274975
(5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole...)Show SMILES CN(C)C(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1 Show InChI InChI=1S/C22H25N3O/c1-25(2)21(26)20-13-17-12-18(8-9-19(17)24-20)22(10-11-23-15-22)14-16-6-4-3-5-7-16/h3-9,12-13,23-24H,10-11,14-15H2,1-2H3 | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50274919
(3-(3-benzylpyrrolidin-3-yl)-1H-indole | CHEMBL5144...)Show InChI InChI=1S/C19H20N2/c1-2-6-15(7-3-1)12-19(10-11-20-14-19)17-13-21-18-9-5-4-8-16(17)18/h1-9,13,20-21H,10-12,14H2 | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50274949
(5-(3-(3-methoxybenzyl)pyrrolidin-3-yl)-1H-indole |...)Show InChI InChI=1S/C20H22N2O/c1-23-18-4-2-3-15(11-18)13-20(8-10-21-14-20)17-5-6-19-16(12-17)7-9-22-19/h2-7,9,11-12,21-22H,8,10,13-14H2,1H3 | PDB
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50274952
(CHEMBL512551 | ethyl 5-(3-benzylpyrrolidin-3-yl)-1...)Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1 Show InChI InChI=1S/C22H24N2O2/c1-2-26-21(25)20-13-17-12-18(8-9-19(17)24-20)22(10-11-23-15-22)14-16-6-4-3-5-7-16/h3-9,12-13,23-24H,2,10-11,14-15H2,1H3 | NCI pathway
Reactome pathway
KEGG
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| Article
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of DAT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50274949
(5-(3-(3-methoxybenzyl)pyrrolidin-3-yl)-1H-indole |...)Show InChI InChI=1S/C20H22N2O/c1-23-18-4-2-3-15(11-18)13-20(8-10-21-14-20)17-5-6-19-16(12-17)7-9-22-19/h2-7,9,11-12,21-22H,8,10,13-14H2,1H3 | NCI pathway
Reactome pathway
KEGG
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of DAT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50275441
(5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyrid...)Show InChI InChI=1S/C18H19N3/c1-2-4-14(5-3-1)11-18(7-9-19-13-18)16-10-15-6-8-20-17(15)21-12-16/h1-6,8,10,12,19H,7,9,11,13H2,(H,20,21) | Reactome pathway
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| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50275441
(5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyrid...)Show InChI InChI=1S/C18H19N3/c1-2-4-14(5-3-1)11-18(7-9-19-13-18)16-10-15-6-8-20-17(15)21-12-16/h1-6,8,10,12,19H,7,9,11,13H2,(H,20,21) | PDB
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| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50274920
(5-(3-(pyridin-2-ylmethyl)pyrrolidin-3-yl)-1H-indol...)Show InChI InChI=1S/C18H19N3/c1-2-8-20-16(3-1)12-18(7-10-19-13-18)15-4-5-17-14(11-15)6-9-21-17/h1-6,8-9,11,19,21H,7,10,12-13H2 | PDB
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| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50275438
((+)-5-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-5-...)Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-6-7-18-16(12-17)8-10-21-18/h1-8,10,12,20-21H,9,11,13-14H2 | PDB
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| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50275438
((+)-5-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-5-...)Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-6-7-18-16(12-17)8-10-21-18/h1-8,10,12,20-21H,9,11,13-14H2 | PDB
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| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 18: 6062-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF |
More data for this
Ligand-Target Pair | |
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