Found 5 hits in this display Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Nicotinic acetylcholine receptor alpha9/alpha10
(RAT-Rattus norvegicus) | 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
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding p... |
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-3/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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta2 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-7
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potentia... |
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-3/beta-4
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat alpha3beta4 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 | |