Found 24 hits of ic50 for UniProtKB: P12390 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50520487
(CHEMBL4553407)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r| Show InChI InChI=1S/C139H227N55O41S4/c1-8-65(4)102-127(231)193-103(68(7)199)128(232)183-87(54-98(204)205)115(219)169-66(5)104(208)187-95(124(228)191-101(64(2)3)130(234)235)63-239-238-62-94(190-126(230)100(140)67(6)198)123(227)177-81(25-15-47-165-137(153)154)112(216)185-90(58-196)120(224)184-89(57-195)105(209)168-56-97(203)170-75(19-9-41-159-131(141)142)106(210)179-84(51-69-29-35-72(200)36-30-69)117(221)188-93-61-237-236-60-92(121(225)176-79(23-13-45-163-135(149)150)110(214)174-83(114(218)192-102)27-17-49-167-139(157)158)189-118(222)85(52-70-31-37-73(201)38-32-70)180-111(215)80(24-14-46-164-136(151)152)173-108(212)77(21-11-43-161-133(145)146)171-107(211)76(20-10-42-160-132(143)144)172-109(213)78(22-12-44-162-134(147)148)175-119(223)88(55-99(206)207)181-116(220)86(53-71-33-39-74(202)40-34-71)182-125(229)96-28-18-50-194(96)129(233)91(59-197)186-113(217)82(178-122(93)226)26-16-48-166-138(155)156/h29-40,64-68,75-96,100-103,195-202H,8-28,41-63,140H2,1-7H3,(H,168,209)(H,169,219)(H,170,203)(H,171,211)(H,172,213)(H,173,212)(H,174,214)(H,175,223)(H,176,225)(H,177,227)(H,178,226)(H,179,210)(H,180,215)(H,181,220)(H,182,229)(H,183,232)(H,184,224)(H,185,216)(H,186,217)(H,187,208)(H,188,221)(H,189,222)(H,190,230)(H,191,228)(H,192,218)(H,193,231)(H,204,205)(H,206,207)(H,234,235)(H4,141,142,159)(H4,143,144,160)(H4,145,146,161)(H4,147,148,162)(H4,149,150,163)(H4,151,152,164)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)/t65-,66-,67+,68+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-,103-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50520477
(CHEMBL4460879)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r| Show InChI InChI=1S/C139H227N55O41S4/c1-8-65(4)102-127(231)193-103(68(7)199)128(232)183-87(54-98(204)205)115(219)169-66(5)104(208)187-95(124(228)191-101(64(2)3)130(234)235)63-239-237-61-92(121(225)176-79(23-13-45-163-135(149)150)110(214)174-83(114(218)192-102)27-17-49-167-139(157)158)189-118(222)85(52-70-31-37-73(201)38-32-70)180-111(215)80(24-14-46-164-136(151)152)173-108(212)77(21-11-43-161-133(145)146)171-107(211)76(20-10-42-160-132(143)144)172-109(213)78(22-12-44-162-134(147)148)175-119(223)88(55-99(206)207)181-116(220)86(53-71-33-39-74(202)40-34-71)182-125(229)96-28-18-50-194(96)129(233)91(59-197)186-113(217)82(26-16-48-166-138(155)156)178-122(226)93-60-236-238-62-94(190-126(230)100(140)67(6)198)123(227)177-81(25-15-47-165-137(153)154)112(216)185-90(58-196)120(224)184-89(57-195)105(209)168-56-97(203)170-75(19-9-41-159-131(141)142)106(210)179-84(117(221)188-93)51-69-29-35-72(200)36-30-69/h29-40,64-68,75-96,100-103,195-202H,8-28,41-63,140H2,1-7H3,(H,168,209)(H,169,219)(H,170,203)(H,171,211)(H,172,213)(H,173,212)(H,174,214)(H,175,223)(H,176,225)(H,177,227)(H,178,226)(H,179,210)(H,180,215)(H,181,220)(H,182,229)(H,183,232)(H,184,224)(H,185,216)(H,186,217)(H,187,208)(H,188,221)(H,189,222)(H,190,230)(H,191,228)(H,192,218)(H,193,231)(H,204,205)(H,206,207)(H,234,235)(H4,141,142,159)(H4,143,144,160)(H4,145,146,161)(H4,147,148,162)(H4,149,150,163)(H4,151,152,164)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)/t65-,66-,67+,68+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-,103-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50520492
(CHEMBL4554920)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O |r| Show InChI InChI=1S/C139H229N55O43S2/c1-8-65(4)102-127(233)193-103(68(7)201)128(234)183-87(54-98(206)207)115(221)169-66(5)104(210)189-95(124(230)191-101(64(2)3)130(236)237)63-239-238-62-94(190-126(232)100(140)67(6)200)123(229)178-81(25-15-47-165-137(153)154)112(218)185-92(60-198)122(228)184-89(57-195)105(211)168-56-97(205)170-75(19-9-41-159-131(141)142)106(212)179-84(51-69-29-35-72(202)36-30-69)117(223)186-91(59-197)121(227)177-82(26-16-48-166-138(155)156)113(219)188-93(61-199)129(235)194-50-18-28-96(194)125(231)182-86(53-71-33-39-74(204)40-34-71)116(222)181-88(55-99(208)209)119(225)175-78(22-12-44-162-134(147)148)109(215)172-76(20-10-42-160-132(143)144)107(213)171-77(21-11-43-161-133(145)146)108(214)173-80(24-14-46-164-136(151)152)111(217)180-85(52-70-31-37-73(203)38-32-70)118(224)187-90(58-196)120(226)176-79(23-13-45-163-135(149)150)110(216)174-83(114(220)192-102)27-17-49-167-139(157)158/h29-40,64-68,75-96,100-103,195-204H,8-28,41-63,140H2,1-7H3,(H,168,211)(H,169,221)(H,170,205)(H,171,213)(H,172,215)(H,173,214)(H,174,216)(H,175,225)(H,176,226)(H,177,227)(H,178,229)(H,179,212)(H,180,217)(H,181,222)(H,182,231)(H,183,234)(H,184,228)(H,185,218)(H,186,223)(H,187,224)(H,188,219)(H,189,210)(H,190,232)(H,191,230)(H,192,220)(H,193,233)(H,206,207)(H,208,209)(H,236,237)(H4,141,142,159)(H4,143,144,160)(H4,145,146,161)(H4,147,148,162)(H4,149,150,163)(H4,151,152,164)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)/t65-,66-,67+,68+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-,103-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50520489
(CHEMBL4455583)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C139H229N55O43S2/c1-8-65(4)102(127(233)193-103(68(7)201)128(234)183-87(54-98(206)207)115(221)169-66(5)104(210)184-92(60-198)122(228)191-101(64(2)3)130(236)237)192-114(220)83(27-17-49-167-139(157)158)174-110(216)79(23-13-45-163-135(149)150)177-123(229)94-62-238-239-63-95(189-117(223)84(51-69-29-35-72(202)36-30-69)179-106(212)75(19-9-41-159-131(141)142)170-97(205)56-168-105(211)89(57-195)185-121(227)90(58-196)186-112(218)81(25-15-47-165-137(153)154)176-120(226)91(59-197)187-126(232)100(140)67(6)200)124(230)178-82(26-16-48-166-138(155)156)113(219)188-93(61-199)129(235)194-50-18-28-96(194)125(231)182-86(53-71-33-39-74(204)40-34-71)116(222)181-88(55-99(208)209)119(225)175-78(22-12-44-162-134(147)148)109(215)172-76(20-10-42-160-132(143)144)107(213)171-77(21-11-43-161-133(145)146)108(214)173-80(24-14-46-164-136(151)152)111(217)180-85(118(224)190-94)52-70-31-37-73(203)38-32-70/h29-40,64-68,75-96,100-103,195-204H,8-28,41-63,140H2,1-7H3,(H,168,211)(H,169,221)(H,170,205)(H,171,213)(H,172,215)(H,173,214)(H,174,216)(H,175,225)(H,176,226)(H,177,229)(H,178,230)(H,179,212)(H,180,217)(H,181,222)(H,182,231)(H,183,234)(H,184,210)(H,185,227)(H,186,218)(H,187,232)(H,188,219)(H,189,223)(H,190,224)(H,191,228)(H,192,220)(H,193,233)(H,206,207)(H,208,209)(H,236,237)(H4,141,142,159)(H4,143,144,160)(H4,145,146,161)(H4,147,148,162)(H4,149,150,163)(H4,151,152,164)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)/t65-,66-,67+,68+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-,103-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50520493
(CHEMBL4577696)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C139H229N55O41S2/c1-10-65(4)102(127(231)193-103(70(9)199)128(232)185-89(56-98(204)205)117(221)170-66(5)104(208)169-68(7)106(210)191-101(64(2)3)130(234)235)192-116(220)85(29-19-51-167-139(157)158)177-112(216)82(26-16-48-164-136(151)152)179-123(227)94-62-236-237-63-95(189-119(223)86(53-71-31-37-74(200)38-32-71)181-108(212)77(21-11-43-159-131(141)142)172-97(203)58-168-107(211)91(59-195)186-122(226)92(60-196)187-114(218)78(22-12-44-160-132(143)144)173-105(209)67(6)171-126(230)100(140)69(8)198)124(228)180-84(28-18-50-166-138(155)156)115(219)188-93(61-197)129(233)194-52-20-30-96(194)125(229)184-88(55-73-35-41-76(202)42-36-73)118(222)183-90(57-99(206)207)121(225)178-81(25-15-47-163-135(149)150)111(215)175-79(23-13-45-161-133(145)146)109(213)174-80(24-14-46-162-134(147)148)110(214)176-83(27-17-49-165-137(153)154)113(217)182-87(120(224)190-94)54-72-33-39-75(201)40-34-72/h31-42,64-70,77-96,100-103,195-202H,10-30,43-63,140H2,1-9H3,(H,168,211)(H,169,208)(H,170,221)(H,171,230)(H,172,203)(H,173,209)(H,174,213)(H,175,215)(H,176,214)(H,177,216)(H,178,225)(H,179,227)(H,180,228)(H,181,212)(H,182,217)(H,183,222)(H,184,229)(H,185,232)(H,186,226)(H,187,218)(H,188,219)(H,189,223)(H,190,224)(H,191,210)(H,192,220)(H,193,231)(H,204,205)(H,206,207)(H,234,235)(H4,141,142,159)(H4,143,144,160)(H4,145,146,161)(H4,147,148,162)(H4,149,150,163)(H4,151,152,164)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)/t65-,66-,67-,68-,69+,70+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-,103-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50520490
(CHEMBL4522506)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C139H229N55O41S2/c1-10-65(4)102(127(231)193-103(70(9)199)128(232)185-89(56-98(204)205)118(222)170-66(5)104(208)169-68(7)106(210)191-101(64(2)3)130(234)235)192-116(220)85(29-19-51-167-139(157)158)177-109(213)78(22-12-44-160-132(143)144)173-105(209)67(6)171-117(221)86(53-71-31-37-74(200)38-32-71)181-113(217)82(26-16-48-164-136(151)152)176-111(215)80(24-14-46-162-134(147)148)174-110(214)79(23-13-45-161-133(145)146)175-112(216)81(25-15-47-163-135(149)150)178-121(225)90(57-99(206)207)183-119(223)88(55-73-35-41-76(202)42-36-73)184-125(229)96-30-20-52-194(96)129(233)93(61-197)188-115(219)84(28-18-50-166-138(155)156)180-123(227)94-62-236-237-63-95(190-126(230)100(140)69(8)198)124(228)179-83(27-17-49-165-137(153)154)114(218)187-92(60-196)122(226)186-91(59-195)107(211)168-58-97(203)172-77(21-11-43-159-131(141)142)108(212)182-87(120(224)189-94)54-72-33-39-75(201)40-34-72/h31-42,64-70,77-96,100-103,195-202H,10-30,43-63,140H2,1-9H3,(H,168,211)(H,169,208)(H,170,222)(H,171,221)(H,172,203)(H,173,209)(H,174,214)(H,175,216)(H,176,215)(H,177,213)(H,178,225)(H,179,228)(H,180,227)(H,181,217)(H,182,212)(H,183,223)(H,184,229)(H,185,232)(H,186,226)(H,187,218)(H,188,219)(H,189,224)(H,190,230)(H,191,210)(H,192,220)(H,193,231)(H,204,205)(H,206,207)(H,234,235)(H4,141,142,159)(H4,143,144,160)(H4,145,146,161)(H4,147,148,162)(H4,149,150,163)(H4,151,152,164)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)/t65-,66-,67-,68-,69+,70+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-,103-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50520479
(CHEMBL4473421)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O |r| Show InChI InChI=1S/C139H229N55O41S2/c1-10-65(4)102-127(231)193-103(70(9)199)128(232)185-89(56-98(204)205)119(223)171-68(7)106(210)189-95(124(228)191-101(64(2)3)130(234)235)63-237-236-62-94(190-126(230)100(140)69(8)198)123(227)180-84(28-18-50-166-138(155)156)114(218)187-92(60-196)122(226)186-91(59-195)107(211)168-58-97(203)172-77(21-11-43-159-131(141)142)108(212)181-86(53-71-31-37-74(200)38-32-71)117(221)169-67(6)105(209)174-79(23-13-45-161-133(145)146)115(219)188-93(61-197)129(233)194-52-20-30-96(194)125(229)184-88(55-73-35-41-76(202)42-36-73)120(224)183-90(57-99(206)207)121(225)179-82(26-16-48-164-136(151)152)112(216)176-80(24-14-46-162-134(147)148)110(214)175-81(25-15-47-163-135(149)150)111(215)177-83(27-17-49-165-137(153)154)113(217)182-87(54-72-33-39-75(201)40-34-72)118(222)170-66(5)104(208)173-78(22-12-44-160-132(143)144)109(213)178-85(116(220)192-102)29-19-51-167-139(157)158/h31-42,64-70,77-96,100-103,195-202H,10-30,43-63,140H2,1-9H3,(H,168,211)(H,169,221)(H,170,222)(H,171,223)(H,172,203)(H,173,208)(H,174,209)(H,175,214)(H,176,216)(H,177,215)(H,178,213)(H,179,225)(H,180,227)(H,181,212)(H,182,217)(H,183,224)(H,184,229)(H,185,232)(H,186,226)(H,187,218)(H,188,219)(H,189,210)(H,190,230)(H,191,228)(H,192,220)(H,193,231)(H,204,205)(H,206,207)(H,234,235)(H4,141,142,159)(H4,143,144,160)(H4,145,146,161)(H4,147,148,162)(H4,149,150,163)(H4,151,152,164)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)/t65-,66-,67-,68-,69+,70+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-,103-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50520486
(CHEMBL4460411)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C139H231N55O43/c1-10-65(4)102(127(233)193-103(70(9)201)128(234)185-89(56-98(206)207)118(224)170-67(6)106(212)186-94(62-198)124(230)191-101(64(2)3)130(236)237)192-116(222)85(29-19-51-167-139(157)158)178-112(218)83(27-17-49-165-137(153)154)180-122(228)92(60-196)189-120(226)87(54-72-33-39-75(203)40-34-72)182-113(219)84(28-18-50-166-138(155)156)177-110(216)81(25-15-47-163-135(149)150)175-109(215)80(24-14-46-162-134(147)148)176-111(217)82(26-16-48-164-136(151)152)179-121(227)90(57-99(208)209)183-119(225)88(55-73-35-41-76(204)42-36-73)184-125(231)96-30-20-52-194(96)129(235)95(63-199)190-115(221)79(23-13-45-161-133(145)146)174-104(210)66(5)169-117(223)86(53-71-31-37-74(202)38-32-71)181-108(214)77(21-11-43-159-131(141)142)172-97(205)58-168-107(213)91(59-195)187-123(229)93(61-197)188-114(220)78(22-12-44-160-132(143)144)173-105(211)68(7)171-126(232)100(140)69(8)200/h31-42,64-70,77-96,100-103,195-204H,10-30,43-63,140H2,1-9H3,(H,168,213)(H,169,223)(H,170,224)(H,171,232)(H,172,205)(H,173,211)(H,174,210)(H,175,215)(H,176,217)(H,177,216)(H,178,218)(H,179,227)(H,180,228)(H,181,214)(H,182,219)(H,183,225)(H,184,231)(H,185,234)(H,186,212)(H,187,229)(H,188,220)(H,189,226)(H,190,221)(H,191,230)(H,192,222)(H,193,233)(H,206,207)(H,208,209)(H,236,237)(H4,141,142,159)(H4,143,144,160)(H4,145,146,161)(H4,147,148,162)(H4,149,150,163)(H4,151,152,164)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)/t65-,66-,67-,68-,69+,70+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-,103-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50520494
(CHEMBL4540592)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C139H231N55O43/c1-10-65(4)102(127(233)193-103(70(9)201)128(234)185-89(56-98(206)207)118(224)170-66(5)104(210)169-68(7)106(212)191-101(64(2)3)130(236)237)192-116(222)85(29-19-51-167-139(157)158)177-109(215)78(22-12-44-160-132(143)144)173-105(211)67(6)171-117(223)86(53-71-31-37-74(202)38-32-71)181-113(219)82(26-16-48-164-136(151)152)176-111(217)80(24-14-46-162-134(147)148)174-110(216)79(23-13-45-161-133(145)146)175-112(218)81(25-15-47-163-135(149)150)178-121(227)90(57-99(208)209)183-119(225)88(55-73-35-41-76(204)42-36-73)184-125(231)96-30-20-52-194(96)129(235)95(63-199)190-115(221)84(28-18-50-166-138(155)156)180-122(228)92(60-196)188-120(226)87(54-72-33-39-75(203)40-34-72)182-108(214)77(21-11-43-159-131(141)142)172-97(205)58-168-107(213)91(59-195)186-124(230)93(61-197)187-114(220)83(27-17-49-165-137(153)154)179-123(229)94(62-198)189-126(232)100(140)69(8)200/h31-42,64-70,77-96,100-103,195-204H,10-30,43-63,140H2,1-9H3,(H,168,213)(H,169,210)(H,170,224)(H,171,223)(H,172,205)(H,173,211)(H,174,216)(H,175,218)(H,176,217)(H,177,215)(H,178,227)(H,179,229)(H,180,228)(H,181,219)(H,182,214)(H,183,225)(H,184,231)(H,185,234)(H,186,230)(H,187,220)(H,188,226)(H,189,232)(H,190,221)(H,191,212)(H,192,222)(H,193,233)(H,206,207)(H,208,209)(H,236,237)(H4,141,142,159)(H4,143,144,160)(H4,145,146,161)(H4,147,148,162)(H4,149,150,163)(H4,151,152,164)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)/t65-,66-,67-,68-,69+,70+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-,103-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50520476
(CHEMBL4463717)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C139H231N55O41/c1-12-65(4)102(127(231)193-103(72(11)199)128(232)187-91(58-98(204)205)121(225)170-66(5)104(208)169-70(9)108(212)191-101(64(2)3)130(234)235)192-118(222)87(31-21-53-167-139(157)158)181-111(215)80(24-14-46-160-132(143)144)175-105(209)67(6)172-120(224)89(56-74-35-41-77(201)42-36-74)184-115(219)86(30-20-52-166-138(155)156)180-113(217)84(28-18-50-164-136(151)152)178-112(216)83(27-17-49-163-135(149)150)179-114(218)85(29-19-51-165-137(153)154)182-123(227)92(59-99(206)207)185-122(226)90(57-75-37-43-78(202)44-38-75)186-125(229)96-32-22-54-194(96)129(233)95(63-197)190-117(221)82(26-16-48-162-134(147)148)177-106(210)68(7)171-119(223)88(55-73-33-39-76(200)40-34-73)183-110(214)79(23-13-45-159-131(141)142)174-97(203)60-168-109(213)93(61-195)188-124(228)94(62-196)189-116(220)81(25-15-47-161-133(145)146)176-107(211)69(8)173-126(230)100(140)71(10)198/h33-44,64-72,79-96,100-103,195-202H,12-32,45-63,140H2,1-11H3,(H,168,213)(H,169,208)(H,170,225)(H,171,223)(H,172,224)(H,173,230)(H,174,203)(H,175,209)(H,176,211)(H,177,210)(H,178,216)(H,179,218)(H,180,217)(H,181,215)(H,182,227)(H,183,214)(H,184,219)(H,185,226)(H,186,229)(H,187,232)(H,188,228)(H,189,220)(H,190,221)(H,191,212)(H,192,222)(H,193,231)(H,204,205)(H,206,207)(H,234,235)(H4,141,142,159)(H4,143,144,160)(H4,145,146,161)(H4,147,148,162)(H4,149,150,163)(H4,151,152,164)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)/t65-,66-,67-,68-,69-,70-,71+,72+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-,103-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50520488
(CHEMBL4448288)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C139H231N55O45/c1-8-65(4)102(127(235)193-103(68(7)203)128(236)183-87(54-98(208)209)115(223)169-66(5)104(212)184-94(62-200)124(232)191-101(64(2)3)130(238)239)192-114(222)83(27-17-49-167-139(157)158)174-110(218)79(23-13-45-163-135(149)150)176-120(228)90(58-196)188-118(226)85(52-70-31-37-73(205)38-32-70)180-111(219)80(24-14-46-164-136(151)152)173-108(216)77(21-11-43-161-133(145)146)171-107(215)76(20-10-42-160-132(143)144)172-109(217)78(22-12-44-162-134(147)148)175-119(227)88(55-99(210)211)181-116(224)86(53-71-33-39-74(206)40-34-71)182-125(233)96-28-18-50-194(96)129(237)95(63-201)190-113(221)82(26-16-48-166-138(155)156)178-121(229)91(59-197)187-117(225)84(51-69-29-35-72(204)36-30-69)179-106(214)75(19-9-41-159-131(141)142)170-97(207)56-168-105(213)89(57-195)185-123(231)92(60-198)186-112(220)81(25-15-47-165-137(153)154)177-122(230)93(61-199)189-126(234)100(140)67(6)202/h29-40,64-68,75-96,100-103,195-206H,8-28,41-63,140H2,1-7H3,(H,168,213)(H,169,223)(H,170,207)(H,171,215)(H,172,217)(H,173,216)(H,174,218)(H,175,227)(H,176,228)(H,177,230)(H,178,229)(H,179,214)(H,180,219)(H,181,224)(H,182,233)(H,183,236)(H,184,212)(H,185,231)(H,186,220)(H,187,225)(H,188,226)(H,189,234)(H,190,221)(H,191,232)(H,192,222)(H,193,235)(H,208,209)(H,210,211)(H,238,239)(H4,141,142,159)(H4,143,144,160)(H4,145,146,161)(H4,147,148,162)(H4,149,150,163)(H4,151,152,164)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)/t65-,66-,67+,68+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-,103-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50520491
(CHEMBL4525995)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O |r| Show InChI InChI=1S/C139H229N55O43S2/c1-8-65(4)102-127(233)193-103(68(7)201)128(234)183-87(54-98(206)207)115(221)169-66(5)104(210)189-95(124(230)191-101(64(2)3)130(236)237)63-239-238-62-94(123(229)178-79(23-13-45-163-135(149)150)110(216)174-83(114(220)192-102)27-17-49-167-139(157)158)190-118(224)85(52-70-31-37-73(203)38-32-70)180-111(217)80(24-14-46-164-136(151)152)173-108(214)77(21-11-43-161-133(145)146)171-107(213)76(20-10-42-160-132(143)144)172-109(215)78(22-12-44-162-134(147)148)175-119(225)88(55-99(208)209)181-116(222)86(53-71-33-39-74(204)40-34-71)182-125(231)96-28-18-50-194(96)129(235)93(61-199)188-113(219)82(26-16-48-166-138(155)156)177-120(226)90(58-196)186-117(223)84(51-69-29-35-72(202)36-30-69)179-106(212)75(19-9-41-159-131(141)142)170-97(205)56-168-105(211)89(57-195)184-122(228)91(59-197)185-112(218)81(25-15-47-165-137(153)154)176-121(227)92(60-198)187-126(232)100(140)67(6)200/h29-40,64-68,75-96,100-103,195-204H,8-28,41-63,140H2,1-7H3,(H,168,211)(H,169,221)(H,170,205)(H,171,213)(H,172,215)(H,173,214)(H,174,216)(H,175,225)(H,176,227)(H,177,226)(H,178,229)(H,179,212)(H,180,217)(H,181,222)(H,182,231)(H,183,234)(H,184,228)(H,185,218)(H,186,223)(H,187,232)(H,188,219)(H,189,210)(H,190,224)(H,191,230)(H,192,220)(H,193,233)(H,206,207)(H,208,209)(H,236,237)(H4,141,142,159)(H4,143,144,160)(H4,145,146,161)(H4,147,148,162)(H4,149,150,163)(H4,151,152,164)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)/t65-,66-,67+,68+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-,103-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50520480
(CHEMBL4450578)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C139H229N55O43S2/c1-8-65(4)102(127(233)193-103(68(7)201)128(234)183-87(54-98(206)207)115(221)169-66(5)104(210)184-92(60-198)122(228)191-101(64(2)3)130(236)237)192-114(220)83(27-17-49-167-139(157)158)174-110(216)79(23-13-45-163-135(149)150)176-120(226)90(58-196)187-117(223)84(51-69-29-35-72(202)36-30-69)180-111(217)80(24-14-46-164-136(151)152)173-108(214)77(21-11-43-161-133(145)146)171-107(213)76(20-10-42-160-132(143)144)172-109(215)78(22-12-44-162-134(147)148)175-119(225)88(55-99(208)209)181-116(222)86(53-71-33-39-74(204)40-34-71)182-125(231)96-28-18-50-194(96)129(235)93(61-199)188-113(219)82(26-16-48-166-138(155)156)178-123(229)94-62-238-239-63-95(190-126(232)100(140)67(6)200)124(230)177-81(25-15-47-165-137(153)154)112(218)186-91(59-197)121(227)185-89(57-195)105(211)168-56-97(205)170-75(19-9-41-159-131(141)142)106(212)179-85(118(224)189-94)52-70-31-37-73(203)38-32-70/h29-40,64-68,75-96,100-103,195-204H,8-28,41-63,140H2,1-7H3,(H,168,211)(H,169,221)(H,170,205)(H,171,213)(H,172,215)(H,173,214)(H,174,216)(H,175,225)(H,176,226)(H,177,230)(H,178,229)(H,179,212)(H,180,217)(H,181,222)(H,182,231)(H,183,234)(H,184,210)(H,185,227)(H,186,218)(H,187,223)(H,188,219)(H,189,224)(H,190,232)(H,191,228)(H,192,220)(H,193,233)(H,206,207)(H,208,209)(H,236,237)(H4,141,142,159)(H4,143,144,160)(H4,145,146,161)(H4,147,148,162)(H4,149,150,163)(H4,151,152,164)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)/t65-,66-,67+,68+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-,103-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50520481
(CHEMBL4446775)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O |r| Show InChI InChI=1S/C139H229N55O41S2/c1-10-65(4)102-127(231)193-103(70(9)199)128(232)185-89(56-98(204)205)118(222)170-67(6)106(210)189-95(124(228)191-101(64(2)3)130(234)235)63-237-236-62-94(123(227)180-83(27-17-49-165-137(153)154)112(216)178-85(116(220)192-102)29-19-51-167-139(157)158)190-120(224)87(54-72-33-39-75(201)40-34-72)182-113(217)84(28-18-50-166-138(155)156)177-110(214)81(25-15-47-163-135(149)150)175-109(213)80(24-14-46-162-134(147)148)176-111(215)82(26-16-48-164-136(151)152)179-121(225)90(57-99(206)207)183-119(223)88(55-73-35-41-76(202)42-36-73)184-125(229)96-30-20-52-194(96)129(233)93(61-197)188-115(219)79(23-13-45-161-133(145)146)174-104(208)66(5)169-117(221)86(53-71-31-37-74(200)38-32-71)181-108(212)77(21-11-43-159-131(141)142)172-97(203)58-168-107(211)91(59-195)186-122(226)92(60-196)187-114(218)78(22-12-44-160-132(143)144)173-105(209)68(7)171-126(230)100(140)69(8)198/h31-42,64-70,77-96,100-103,195-202H,10-30,43-63,140H2,1-9H3,(H,168,211)(H,169,221)(H,170,222)(H,171,230)(H,172,203)(H,173,209)(H,174,208)(H,175,213)(H,176,215)(H,177,214)(H,178,216)(H,179,225)(H,180,227)(H,181,212)(H,182,217)(H,183,223)(H,184,229)(H,185,232)(H,186,226)(H,187,218)(H,188,219)(H,189,210)(H,190,224)(H,191,228)(H,192,220)(H,193,231)(H,204,205)(H,206,207)(H,234,235)(H4,141,142,159)(H4,143,144,160)(H4,145,146,161)(H4,147,148,162)(H4,149,150,163)(H4,151,152,164)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)/t65-,66-,67-,68-,69+,70+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,102-,103-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot... |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50587089
(CHEMBL5089119)Show SMILES C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02079
BindingDB Entry DOI: 10.7270/Q2R78K4Q |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50587083
(CHEMBL5077936)Show SMILES C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02079
BindingDB Entry DOI: 10.7270/Q2R78K4Q |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50587082
(CHEMBL5076584)Show SMILES C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02079
BindingDB Entry DOI: 10.7270/Q2R78K4Q |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50587080
(CHEMBL5081410)Show SMILES C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02079
BindingDB Entry DOI: 10.7270/Q2R78K4Q |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50587081
(CHEMBL5087526)Show SMILES C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r| | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat alpha2beta2 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02079
BindingDB Entry DOI: 10.7270/Q2R78K4Q |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50567435
(CHEMBL4872191)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-elect... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50567433
(CHEMBL4869892)Show SMILES [H][C@]1(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)C(C)C)[C@@H](C)CC |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-elect... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50606633
(CHEMBL5219936)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O |r| | PDB
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DrugBank
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00512
BindingDB Entry DOI: 10.7270/Q20G3Q8V |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50238584
(CHEMBL4089797)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCSC)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 |r| Show InChI InChI=1S/C59H94N18O17S5/c1-8-29(4)45-57(92)71-37(46(61)81)23-96-98-26-40-53(88)69-35(21-78)50(85)68-34(18-32-20-62-27-63-32)58(93)76-15-9-13-41(76)54(89)74-44(28(2)3)56(91)73-39(25-99-97-24-38(52(87)72-40)66-43(80)19-60)51(86)65-30(5)47(82)64-31(6)48(83)67-33(12-11-17-95-7)49(84)70-36(22-79)59(94)77-16-10-14-42(77)55(90)75-45/h20,27-31,33-42,44-45,78-79H,8-19,21-26,60H2,1-7H3,(H2,61,81)(H,62,63)(H,64,82)(H,65,86)(H,66,80)(H,67,83)(H,68,85)(H,69,88)(H,70,84)(H,71,92)(H,72,87)(H,73,91)(H,74,89)(H,75,90)/t29-,30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,44-,45-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta2 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins a... |
J Med Chem 60: 5826-5833 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00546
BindingDB Entry DOI: 10.7270/Q28C9ZHM |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50459652
(CHEMBL4215824)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 |r| Show InChI InChI=1S/C61H99N19O17S5/c1-7-31(4)47-59(95)74-39(48(64)84)25-99-101-27-41-55(91)72-37(23-81)52(88)71-36(20-33-22-65-29-66-33)60(96)79-17-10-13-43(79)56(92)77-46(30(2)3)58(94)76-42(28-102-100-26-40(53(89)75-41)68-45(83)21-63)54(90)70-34(12-8-9-16-62)50(86)67-32(5)49(85)69-35(15-19-98-6)51(87)73-38(24-82)61(97)80-18-11-14-44(80)57(93)78-47/h22,29-32,34-44,46-47,81-82H,7-21,23-28,62-63H2,1-6H3,(H2,64,84)(H,65,66)(H,67,86)(H,68,83)(H,69,85)(H,70,90)(H,71,88)(H,72,91)(H,73,87)(H,74,95)(H,75,89)(H,76,94)(H,77,92)(H,78,93)/t31-,32-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,46-,47-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha2beta2 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents p... |
J Med Chem 61: 9256-9265 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00967
BindingDB Entry DOI: 10.7270/Q2B27XWW |
More data for this
Ligand-Target Pair | |
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