Found 6 hits of ic50 for UniProtKB: P17787 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-6/beta-2
(Homo sapiens (Human)) | BDBM50481208
(CHEMBL594330)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C65H104N22O21S4/c1-28(2)11-34(52(94)73-31(7)51(93)75-36(13-32-18-69-26-71-32)55(97)81-40(20-88)57(99)79-38(15-47(67)90)56(98)77-35(12-29(3)4)53(95)85-45(25-112)65(107)108)76-54(96)37(14-33-19-70-27-72-33)78-60(102)44(24-111)84-63(105)50(30(5)6)86-62(104)46-9-8-10-87(46)64(106)39(16-48(68)91)80-58(100)41(21-89)82-61(103)43(23-110)83-59(101)42(22-109)74-49(92)17-66/h18-19,26-31,34-46,50,88-89,109-112H,8-17,20-25,66H2,1-7H3,(H2,67,90)(H2,68,91)(H,69,71)(H,70,72)(H,73,94)(H,74,92)(H,75,93)(H,76,96)(H,77,98)(H,78,102)(H,79,99)(H,80,100)(H,81,97)(H,82,103)(H,83,101)(H,84,105)(H,85,95)(H,86,104)(H,107,108)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha6beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6/beta-2
(Homo sapiens (Human)) | BDBM50481207
(CHEMBL595286)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C54H85N13O17S4/c1-25(2)17-31(44(73)58-32(18-29-11-13-30(70)14-12-29)45(74)63-37(24-88)54(83)84)59-51(80)41(26(3)4)64-43(72)27(5)56-47(76)35(22-86)62-50(79)38-9-7-15-66(38)52(81)39-10-8-16-67(39)53(82)42(28(6)69)65-46(75)33(20-68)60-49(78)36(23-87)61-48(77)34(21-85)57-40(71)19-55/h11-14,25-28,31-39,41-42,68-70,85-88H,7-10,15-24,55H2,1-6H3,(H,56,76)(H,57,71)(H,58,73)(H,59,80)(H,60,78)(H,61,77)(H,62,79)(H,63,74)(H,64,72)(H,65,75)(H,83,84)/t27-,28+,31-,32-,33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha6beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6/beta-2
(Homo sapiens (Human)) | BDBM50481206
(CHEMBL595311)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C67H106N22O23S4/c1-29(2)12-35(54(98)76-34(9-10-51(95)96)53(97)79-38(15-33-20-72-28-74-33)57(101)83-41(21-90)59(103)81-39(16-48(69)92)58(102)78-36(13-30(3)4)55(99)87-46(26-116)67(111)112)77-56(100)37(14-32-19-71-27-73-32)80-62(106)45(25-115)86-65(109)52(31(5)6)88-64(108)47-8-7-11-89(47)66(110)40(17-49(70)93)82-60(104)42(22-91)84-63(107)44(24-114)85-61(105)43(23-113)75-50(94)18-68/h19-20,27-31,34-47,52,90-91,113-116H,7-18,21-26,68H2,1-6H3,(H2,69,92)(H2,70,93)(H,71,73)(H,72,74)(H,75,94)(H,76,98)(H,77,100)(H,78,102)(H,79,97)(H,80,106)(H,81,103)(H,82,104)(H,83,101)(H,84,107)(H,85,105)(H,86,109)(H,87,99)(H,88,108)(H,95,96)(H,111,112)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha6beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6/beta-2
(Homo sapiens (Human)) | BDBM50481209
(CHEMBL595047)Show SMILES [H][C@](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)[C@@H](C)O)C(C)C)([C@@H](C)CC)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C79H128N26O26S4/c1-8-36(6)59(73(125)98-49(32-135)78(130)131)101-62(114)40(17-18-53(81)108)89-68(120)50-14-10-20-103(50)75(127)42(24-54(82)109)92-63(115)41(23-38-27-86-33-88-38)90-71(123)58(35(4)5)100-74(126)60(37(7)107)102-67(119)48(31-134)97-72(124)57(34(2)3)99-70(122)52-16-12-22-105(52)76(128)43(25-55(83)110)93-64(116)45(28-106)94-65(117)46(29-132)95-66(118)47(30-133)96-69(121)51-15-11-21-104(51)77(129)44(26-56(111)112)91-61(113)39(80)13-9-19-87-79(84)85/h27,33-37,39-52,57-60,106-107,132-135H,8-26,28-32,80H2,1-7H3,(H2,81,108)(H2,82,109)(H2,83,110)(H,86,88)(H,89,120)(H,90,123)(H,91,113)(H,92,115)(H,93,116)(H,94,117)(H,95,118)(H,96,121)(H,97,124)(H,98,125)(H,99,122)(H,100,126)(H,101,114)(H,102,119)(H,111,112)(H,130,131)(H4,84,85,87)/t36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-,60-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha6beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6/beta-2
(Homo sapiens (Human)) | BDBM50481212
(CHEMBL609593)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C61H95N23O21S4/c1-5-26(2)47(59(102)82-40(23-109)61(104)105)83-53(96)32(11-29-16-66-24-69-29)76-50(93)31(8-9-42(63)86)75-52(95)34(14-44(65)88)77-51(94)33(13-43(64)87)73-46(90)18-68-48(91)27(3)71-55(98)38(21-107)80-49(92)28(4)72-58(101)41-7-6-10-84(41)60(103)35(12-30-17-67-25-70-30)78-54(97)36(19-85)79-57(100)39(22-108)81-56(99)37(20-106)74-45(89)15-62/h16-17,24-28,31-41,47,85,106-109H,5-15,18-23,62H2,1-4H3,(H2,63,86)(H2,64,87)(H2,65,88)(H,66,69)(H,67,70)(H,68,91)(H,71,98)(H,72,101)(H,73,90)(H,74,89)(H,75,95)(H,76,93)(H,77,94)(H,78,97)(H,79,100)(H,80,92)(H,81,99)(H,82,102)(H,83,96)(H,104,105)/t26-,27-,28-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,47-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha6beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6/beta-2
(Homo sapiens (Human)) | BDBM50481210
(CHEMBL609594)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C67H104N24O22S4/c1-6-30(4)52(65(111)87-40(23-114)54(100)74-21-50(97)98)89-56(102)34(13-32-19-72-27-75-32)80-63(109)45-10-8-12-91(45)67(113)38(17-48(71)95)83-55(101)35(15-46(69)93)81-64(110)51(29(2)3)88-57(103)36(16-47(70)94)79-60(106)42(25-116)85-53(99)31(5)77-62(108)44-9-7-11-90(44)66(112)37(14-33-20-73-28-76-33)82-58(104)39(22-92)84-61(107)43(26-117)86-59(105)41(24-115)78-49(96)18-68/h19-20,27-31,34-45,51-52,92,114-117H,6-18,21-26,68H2,1-5H3,(H2,69,93)(H2,70,94)(H2,71,95)(H,72,75)(H,73,76)(H,74,100)(H,77,108)(H,78,96)(H,79,106)(H,80,109)(H,81,110)(H,82,104)(H,83,101)(H,84,107)(H,85,99)(H,86,105)(H,87,111)(H,88,103)(H,89,102)(H,97,98)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,51-,52-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 201 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha6beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Search and Browse
