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Compile Data Set for Download or QSAR

Found 74 hits from Bristol Myers Squibb   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neuropeptide Y receptor type 2


(HUMAN)
BDBM82279
PNG
(CAS_118997-30-1 | PYY, human)
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/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


(HUMAN)
BDBM82277
PNG
(NPY2-36, human | NPY2-36, rat, human)
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/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


(HUMAN)
BDBM82279
PNG
(CAS_118997-30-1 | PYY, human)
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/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


(HUMAN)
BDBM50015490
PNG
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/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


(HUMAN)
BDBM82277
PNG
(NPY2-36, human | NPY2-36, rat, human)
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.10n/an/an/an/an/an/an/an/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


(HUMAN)
BDBM50015490
PNG
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/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


(HUMAN)
BDBM82278
PNG
(NPY3-36)
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.70n/an/an/an/an/an/an/an/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


(HUMAN)
BDBM82278
PNG
(NPY3-36)
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/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


(HUMAN)
BDBM82276
PNG
(L31,P34-NPY,human | NPY Leu31, Pro34, human, rat |...)
Show InChI InChI=1S/C188H282N54O56S/c1-15-94(8)148(178(292)231-127(81-139(191)251)165(279)223-122(74-92(4)5)168(282)235-147(93(6)7)177(291)237-149(99(13)245)179(293)220-119(31-21-66-206-188(200)201)183(297)241-70-25-35-137(241)174(288)218-114(30-20-65-205-187(198)199)155(269)221-120(150(193)264)76-101-39-49-107(247)50-40-101)236-169(283)125(79-104-45-55-110(250)56-46-104)226-164(278)126(80-105-86-202-90-208-105)227-157(271)113(29-19-64-204-186(196)197)216-161(275)121(73-91(2)3)222-153(267)96(10)210-170(284)132(88-243)233-163(277)124(78-103-43-53-109(249)54-44-103)225-162(276)123(77-102-41-51-108(248)52-42-102)224-156(270)112(28-18-63-203-185(194)195)214-151(265)95(9)209-154(268)117(61-72-299-14)217-166(280)129(84-145(260)261)229-159(273)116(58-60-143(256)257)215-152(266)97(11)211-173(287)135-33-23-67-238(135)180(294)98(12)212-160(274)128(83-144(258)259)228-158(272)115(57-59-142(254)255)213-141(253)87-207-172(286)134-32-22-69-240(134)184(298)131(82-140(192)252)232-167(281)130(85-146(262)263)230-175(289)138-36-26-71-242(138)182(296)118(27-16-17-62-189)219-171(285)133(89-244)234-176(290)136-34-24-68-239(136)181(295)111(190)75-100-37-47-106(246)48-38-100/h37-56,86,90-99,111-138,147-149,243-250H,15-36,57-85,87-89,189-190H2,1-14H3,(H2,191,251)(H2,192,252)(H2,193,264)(H,202,208)(H,207,286)(H,209,268)(H,210,284)(H,211,287)(H,212,274)(H,213,253)(H,214,265)(H,215,266)(H,216,275)(H,217,280)(H,218,288)(H,219,285)(H,220,293)(H,221,269)(H,222,267)(H,223,279)(H,224,270)(H,225,276)(H,226,278)(H,227,271)(H,228,272)(H,229,273)(H,230,289)(H,231,292)(H,232,281)(H,233,277)(H,234,290)(H,235,282)(H,236,283)(H,237,291)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,194,195,203)(H4,196,197,204)(H4,198,199,205)(H4,200,201,206)/t94-,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-,147-,148-,149-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
500n/an/an/an/an/an/an/an/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


(HUMAN)
BDBM82275
PNG
(32D-W-NPY)
Show InChI InChI=1S/C196H288N56O56S/c1-14-98(7)156(187(303)242-134(84-110-83-109-28-16-17-29-118(109)222-110)174(290)228-120(32-21-68-213-194(205)206)163(279)229-124(59-62-147(199)260)168(284)226-121(33-22-69-214-195(207)208)164(280)232-128(158(202)274)79-105-41-51-113(256)52-42-105)247-179(295)130(77-97(5)6)234-176(292)136(86-148(200)261)243-188(304)157(99(8)15-2)248-180(296)133(82-108-47-57-116(259)58-48-108)237-175(291)135(85-111-91-211-95-217-111)238-166(282)122(34-23-70-215-196(209)210)227-171(287)129(76-96(3)4)233-161(277)101(10)219-181(297)141(93-253)245-173(289)132(81-107-45-55-115(258)56-46-107)236-172(288)131(80-106-43-53-114(257)54-44-106)235-165(281)119(31-20-67-212-193(203)204)224-159(275)100(9)218-162(278)126(65-75-309-13)230-177(293)138(89-154(270)271)240-169(285)125(61-64-152(266)267)225-160(276)102(11)220-184(300)144-36-25-71-249(144)189(305)103(12)221-170(286)137(88-153(268)269)239-167(283)123(60-63-151(264)265)223-150(263)92-216-183(299)143-35-24-73-251(143)192(308)140(87-149(201)262)244-178(294)139(90-155(272)273)241-185(301)146-38-27-74-252(146)191(307)127(30-18-19-66-197)231-182(298)142(94-254)246-186(302)145-37-26-72-250(145)190(306)117(198)78-104-39-49-112(255)50-40-104/h16-17,28-29,39-58,83,91,95-103,117,119-146,156-157,222,253-259H,14-15,18-27,30-38,59-82,84-90,92-94,197-198H2,1-13H3,(H2,199,260)(H2,200,261)(H2,201,262)(H2,202,274)(H,211,217)(H,216,299)(H,218,278)(H,219,297)(H,220,300)(H,221,286)(H,223,263)(H,224,275)(H,225,276)(H,226,284)(H,227,287)(H,228,290)(H,229,279)(H,230,293)(H,231,298)(H,232,280)(H,233,277)(H,234,292)(H,235,281)(H,236,288)(H,237,291)(H,238,282)(H,239,283)(H,240,285)(H,241,301)(H,242,303)(H,243,304)(H,244,294)(H,245,289)(H,246,302)(H,247,295)(H,248,296)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H4,203,204,212)(H4,205,206,213)(H4,207,208,214)(H4,209,210,215)/t98-,99-,100-,101-,102-,103-,117-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134+,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,156-,157-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/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


(HUMAN)
BDBM82276
PNG
(L31,P34-NPY,human | NPY Leu31, Pro34, human, rat |...)
Show InChI InChI=1S/C188H282N54O56S/c1-15-94(8)148(178(292)231-127(81-139(191)251)165(279)223-122(74-92(4)5)168(282)235-147(93(6)7)177(291)237-149(99(13)245)179(293)220-119(31-21-66-206-188(200)201)183(297)241-70-25-35-137(241)174(288)218-114(30-20-65-205-187(198)199)155(269)221-120(150(193)264)76-101-39-49-107(247)50-40-101)236-169(283)125(79-104-45-55-110(250)56-46-104)226-164(278)126(80-105-86-202-90-208-105)227-157(271)113(29-19-64-204-186(196)197)216-161(275)121(73-91(2)3)222-153(267)96(10)210-170(284)132(88-243)233-163(277)124(78-103-43-53-109(249)54-44-103)225-162(276)123(77-102-41-51-108(248)52-42-102)224-156(270)112(28-18-63-203-185(194)195)214-151(265)95(9)209-154(268)117(61-72-299-14)217-166(280)129(84-145(260)261)229-159(273)116(58-60-143(256)257)215-152(266)97(11)211-173(287)135-33-23-67-238(135)180(294)98(12)212-160(274)128(83-144(258)259)228-158(272)115(57-59-142(254)255)213-141(253)87-207-172(286)134-32-22-69-240(134)184(298)131(82-140(192)252)232-167(281)130(85-146(262)263)230-175(289)138-36-26-71-242(138)182(296)118(27-16-17-62-189)219-171(285)133(89-244)234-176(290)136-34-24-68-239(136)181(295)111(190)75-100-37-47-106(246)48-38-100/h37-56,86,90-99,111-138,147-149,243-250H,15-36,57-85,87-89,189-190H2,1-14H3,(H2,191,251)(H2,192,252)(H2,193,264)(H,202,208)(H,207,286)(H,209,268)(H,210,284)(H,211,287)(H,212,274)(H,213,253)(H,214,265)(H,215,266)(H,216,275)(H,217,280)(H,218,288)(H,219,285)(H,220,293)(H,221,269)(H,222,267)(H,223,279)(H,224,270)(H,225,276)(H,226,278)(H,227,271)(H,228,272)(H,229,273)(H,230,289)(H,231,292)(H,232,281)(H,233,277)(H,234,290)(H,235,282)(H,236,283)(H,237,291)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,194,195,203)(H4,196,197,204)(H4,198,199,205)(H4,200,201,206)/t94-,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-,147-,148-,149-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/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
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50295294
PNG
((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...)
Show SMILES CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-14(13)16-10-19-17-7-6-12(9-18)8-15(16)17/h6-8,10,13-14,19H,3-5,11H2,1-2H3/t13-,14+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/a 0.130n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50330813
PNG
(3-[(1S,3R)-3-Dimethylaminocyclopentyl]-1H-indole-5...)
Show SMILES CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 0.220n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human NET


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330813
PNG
(3-[(1S,3R)-3-Dimethylaminocyclopentyl]-1H-indole-5...)
Show SMILES CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.220n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330844
PNG
(3-[(1R,3S)-3-Dimethylaminocyclopentyl]-1H-indole-5...)
Show SMILES CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.380n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330813
PNG
(3-[(1S,3R)-3-Dimethylaminocyclopentyl]-1H-indole-5...)
Show SMILES CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.480n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50173715
PNG
((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)
Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1
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n/an/a 0.480n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50330814
PNG
(CHEMBL1275791 | [(1R,3S)-3-(5-Fluoro-1H-indol-3-yl...)
Show SMILES CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C15H19FN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3/t10-,12+/m1/s1
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n/an/a 0.630n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human NET


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330814
PNG
(CHEMBL1275791 | [(1R,3S)-3-(5-Fluoro-1H-indol-3-yl...)
Show SMILES CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C15H19FN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3/t10-,12+/m1/s1
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n/an/a 0.630n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330843
PNG
(3-[(1S,3S)-3-Dimethylaminocyclopentyl]-1H-indole-5...)
Show SMILES CN(C)[C@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13-/m0/s1
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n/an/a 0.970n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330845
PNG
(3-[(1R,3R)-3-Dimethylaminocyclopentyl]-1H-indole-5...)
Show SMILES CN(C)[C@@H]1CC[C@H](C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330823
PNG
(3-(7-chloro-1H-indol-3-yl)-N,N-dimethylcyclopentan...)
Show SMILES CN(C)C1CCC(C1)c1c[nH]c2c(Cl)cccc12
Show InChI InChI=1S/C15H19ClN2/c1-18(2)11-7-6-10(8-11)13-9-17-15-12(13)4-3-5-14(15)16/h3-5,9-11,17H,6-8H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330831
PNG
(3-(3-(ethyl(methyl)amino)cyclopentyl)-1H-indole-5-...)
Show SMILES CCN(C)C1CCC(C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H21N3/c1-3-20(2)14-6-5-13(9-14)16-11-19-17-7-4-12(10-18)8-15(16)17/h4,7-8,11,13-14,19H,3,5-6,9H2,1-2H3
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n/an/a 1.60n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330824
PNG
(3-(7-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentana...)
Show SMILES CN(C)C1CCC(C1)c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C15H19BrN2/c1-18(2)11-7-6-10(8-11)13-9-17-15-12(13)4-3-5-14(15)16/h3-5,9-11,17H,6-8H2,1-2H3
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n/an/a 1.60n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330814
PNG
(CHEMBL1275791 | [(1R,3S)-3-(5-Fluoro-1H-indol-3-yl...)
Show SMILES CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C15H19FN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3/t10-,12+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50162700
PNG
(3-(3-(dimethylamino)propyl)-1H-indole-5-carbonitri...)
Show SMILES CN(C)CCCc1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C14H17N3/c1-17(2)7-3-4-12-10-16-14-6-5-11(9-15)8-13(12)14/h5-6,8,10,16H,3-4,7H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330847
PNG
(CHEMBL1275793 | [(1S,3R)-3-(5-Fluoro-1H-indol-3-yl...)
Show SMILES CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C15H19FN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3/t10-,12+/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330848
PNG
(CHEMBL1275794 | [(1R,3R)-3-(5-Fluoro-1H-indol-3-yl...)
Show SMILES CN(C)[C@@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C15H19FN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3/t10-,12-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330842
PNG
(5-fluoro-3-(3-(pyrrolidin-1-yl)cyclopentyl)-1H-ind...)
Show SMILES Fc1ccc2[nH]cc(C3CCC(C3)N3CCCC3)c2c1
Show InChI InChI=1S/C17H21FN2/c18-13-4-6-17-15(10-13)16(11-19-17)12-3-5-14(9-12)20-7-1-2-8-20/h4,6,10-12,14,19H,1-3,5,7-9H2
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n/an/a 2.90n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330817
PNG
(3-(5-chloro-1H-indol-3-yl)-N,N-dimethylcyclopentan...)
Show SMILES CN(C)C1CCC(C1)c1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C15H19ClN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330835
PNG
(3-(3-(pyrrolidin-1-yl)cyclopentyl)-1H-indole-5-car...)
Show SMILES N#Cc1ccc2[nH]cc(C3CCC(C3)N3CCCC3)c2c1
Show InChI InChI=1S/C18H21N3/c19-11-13-3-6-18-16(9-13)17(12-20-18)14-4-5-15(10-14)21-7-1-2-8-21/h3,6,9,12,14-15,20H,1-2,4-5,7-8,10H2
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n/an/a 3n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330822
PNG
(3-(7-fluoro-1H-indol-3-yl)-N,N-dimethylcyclopentan...)
Show SMILES CN(C)C1CCC(C1)c1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C15H19FN2/c1-18(2)11-7-6-10(8-11)13-9-17-15-12(13)4-3-5-14(15)16/h3-5,9-11,17H,6-8H2,1-2H3
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n/an/a 3.30n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330840
PNG
(CHEMBL1275671 | N-ethyl-3-(5-fluoro-1H-indol-3-yl)...)
Show SMILES CCN(C)C1CCC(C1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C16H21FN2/c1-3-19(2)13-6-4-11(8-13)15-10-18-16-7-5-12(17)9-14(15)16/h5,7,9-11,13,18H,3-4,6,8H2,1-2H3
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n/an/a 3.70n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330818
PNG
(3-(5-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentana...)
Show SMILES CN(C)C1CCC(C1)c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C15H19BrN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3
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n/an/a 4.30n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330819
PNG
(3-(6-fluoro-1H-indol-3-yl)-N,N-dimethylcyclopentan...)
Show SMILES CN(C)C1CCC(C1)c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C15H19FN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-8-11(16)4-6-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3
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n/an/a 5.10n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330816
PNG
(3-(4-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentana...)
Show SMILES CN(C)C1CCC(C1)c1c[nH]c2cccc(Br)c12
Show InChI InChI=1S/C15H19BrN2/c1-18(2)11-7-6-10(8-11)12-9-17-14-5-3-4-13(16)15(12)14/h3-5,9-11,17H,6-8H2,1-2H3
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n/an/a 5.30n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330833
PNG
(3-(3-(benzyl(methyl)amino)cyclopentyl)-1H-indole-5...)
Show SMILES CN(Cc1ccccc1)C1CCC(C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C22H23N3/c1-25(15-16-5-3-2-4-6-16)19-9-8-18(12-19)21-14-24-22-10-7-17(13-23)11-20(21)22/h2-7,10-11,14,18-19,24H,8-9,12,15H2,1H3
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n/an/a 5.30n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330846
PNG
(CHEMBL1275792 | [(1S,3S)-3-(5-Fluoro-1H-indol-3-yl...)
Show SMILES CN(C)[C@H]1CC[C@@H](C1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C15H19FN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3/t10-,12-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330832
PNG
(3-(3-(diethylamino)cyclopentyl)-1H-indole-5-carbon...)
Show SMILES CCN(CC)C1CCC(C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C18H23N3/c1-3-21(4-2)15-7-6-14(10-15)17-12-20-18-8-5-13(11-19)9-16(17)18/h5,8-9,12,14-15,20H,3-4,6-7,10H2,1-2H3
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n/an/a 6.20n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330834
PNG
(3-(3-(methyl(phenethyl)amino)cyclopentyl)-1H-indol...)
Show SMILES CN(CCc1ccccc1)C1CCC(C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C23H25N3/c1-26(12-11-17-5-3-2-4-6-17)20-9-8-19(14-20)22-16-25-23-10-7-18(15-24)13-21(22)23/h2-7,10,13,16,19-20,25H,8-9,11-12,14H2,1H3
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n/an/a 6.20n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330839
PNG
(3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)cyclopentyl)...)
Show SMILES N#Cc1ccc2[nH]cc(C3CCC(C3)N3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C23H23N3/c24-13-16-5-8-23-21(11-16)22(14-25-23)18-6-7-20(12-18)26-10-9-17-3-1-2-4-19(17)15-26/h1-5,8,11,14,18,20,25H,6-7,9-10,12,15H2
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n/an/a 6.5n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330820
PNG
(3-(6-chloro-1H-indol-3-yl)-N,N-dimethylcyclopentan...)
Show SMILES CN(C)C1CCC(C1)c1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C15H19ClN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-8-11(16)4-6-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3
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n/an/a 6.5n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330827
PNG
(3-(3-(ethylamino)cyclopentyl)-1H-indole-5-carbonit...)
Show SMILES CCNC1CCC(C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C16H19N3/c1-2-18-13-5-4-12(8-13)15-10-19-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18-19H,2,4-5,8H2,1H3
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n/an/a 6.60n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330838
PNG
(3-(3-(isoindolin-2-yl)cyclopentyl)-1H-indole-5-car...)
Show SMILES N#Cc1ccc2[nH]cc(C3CCC(C3)N3Cc4ccccc4C3)c2c1
Show InChI InChI=1S/C22H21N3/c23-11-15-5-8-22-20(9-15)21(12-24-22)16-6-7-19(10-16)25-13-17-3-1-2-4-18(17)14-25/h1-5,8-9,12,16,19,24H,6-7,10,13-14H2
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n/an/a 6.80n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330841
PNG
(CHEMBL1275707 | N,N-diethyl-3-(5-fluoro-1H-indol-3...)
Show SMILES CCN(CC)C1CCC(C1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C17H23FN2/c1-3-20(4-2)14-7-5-12(9-14)16-11-19-17-8-6-13(18)10-15(16)17/h6,8,10-12,14,19H,3-5,7,9H2,1-2H3
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n/an/a 7.30n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330826
PNG
(3-(3-(methylamino)cyclopentyl)-1H-indole-5-carboni...)
Show SMILES CNC1CCC(C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C15H17N3/c1-17-12-4-3-11(7-12)14-9-18-15-5-2-10(8-16)6-13(14)15/h2,5-6,9,11-12,17-18H,3-4,7H2,1H3
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n/an/a 8.5n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330821
PNG
(3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentana...)
Show SMILES CN(C)C1CCC(C1)c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C15H19BrN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-8-11(16)4-6-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3
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n/an/a 9.60n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330830
PNG
(3-(3-(phenethylamino)cyclopentyl)-1H-indole-5-carb...)
Show SMILES N#Cc1ccc2[nH]cc(C3CCC(C3)NCCc3ccccc3)c2c1
Show InChI InChI=1S/C22H23N3/c23-14-17-6-9-22-20(12-17)21(15-25-22)18-7-8-19(13-18)24-11-10-16-4-2-1-3-5-16/h1-6,9,12,15,18-19,24-25H,7-8,10-11,13H2
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n/an/a 10n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330829
PNG
(3-(3-(benzylamino)cyclopentyl)-1H-indole-5-carboni...)
Show SMILES N#Cc1ccc2[nH]cc(C3CCC(C3)NCc3ccccc3)c2c1
Show InChI InChI=1S/C21H21N3/c22-12-16-6-9-21-19(10-16)20(14-24-21)17-7-8-18(11-17)23-13-15-4-2-1-3-5-15/h1-6,9-10,14,17-18,23-24H,7-8,11,13H2
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n/an/a 15n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50330828
PNG
(3-(3-(propylamino)cyclopentyl)-1H-indole-5-carboni...)
Show SMILES CCCNC1CCC(C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H21N3/c1-2-7-19-14-5-4-13(9-14)16-11-20-17-6-3-12(10-18)8-15(16)17/h3,6,8,11,13-14,19-20H,2,4-5,7,9H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
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