Found 183 hits with Last Name = 'fujitani' and Initial = 'y' 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 |
|---|
Endothelin receptor type B
(Sus scrofa) | BDBM50000558
(CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64+,66-,67-,68-,69+,70-,71-,72+,73-,74+,75-,76-,77+,78-,79+,80-,81-,82+,86-,87-,88-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.00800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Sus scrofa) | BDBM50000558
(CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64+,66-,67-,68-,69+,70-,71-,72+,73-,74+,75-,76-,77+,78-,79+,80-,81-,82+,86-,87-,88-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Sus scrofa) | BDBM50287890
(CHEMBL427778 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C77H105N15O21/c1-11-41(7)64(75(110)89-58(77(112)113)33-47-36-79-51-21-17-16-20-50(47)51)92-76(111)65(42(8)12-2)91-73(108)57(35-62(99)100)87-70(105)53(30-39(3)4)85-72(107)56(34-48-37-78-38-80-48)84-66(101)43(9)82-69(104)54(31-45-18-14-13-15-19-45)86-71(106)55(32-46-22-24-49(93)25-23-46)88-74(109)63(40(5)6)90-67(102)44(10)81-68(103)52(26-28-60(95)96)83-59(94)27-29-61(97)98/h13-25,36-44,52-58,63-65,79,93H,11-12,26-35H2,1-10H3,(H,78,80)(H,81,103)(H,82,104)(H,83,94)(H,84,101)(H,85,107)(H,86,106)(H,87,105)(H,88,109)(H,89,110)(H,90,102)(H,91,108)(H,92,111)(H,95,96)(H,97,98)(H,99,100)(H,112,113)/t41-,42-,43-,44-,52-,53-,54-,55-,56-,57-,58-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.0770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Sus scrofa) | BDBM50287885
(CHEMBL405377 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C75H103N15O19/c1-11-41(7)63(74(107)90-64(42(8)12-2)73(106)87-57(75(108)109)33-47-35-77-51-21-17-16-20-50(47)51)88-59(93)37-78-67(100)53(30-39(3)4)84-71(104)56(34-48-36-76-38-79-48)83-65(98)43(9)81-69(102)54(31-45-18-14-13-15-19-45)85-70(103)55(32-46-22-24-49(91)25-23-46)86-72(105)62(40(5)6)89-66(99)44(10)80-68(101)52(26-28-60(94)95)82-58(92)27-29-61(96)97/h13-25,35-36,38-44,52-57,62-64,77,91H,11-12,26-34,37H2,1-10H3,(H,76,79)(H,78,100)(H,80,101)(H,81,102)(H,82,92)(H,83,98)(H,84,104)(H,85,103)(H,86,105)(H,87,106)(H,88,93)(H,89,99)(H,90,107)(H,94,95)(H,96,97)(H,108,109)/t41-,42-,43-,44-,52-,53-,54-,55-,56-,57-,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Sus scrofa) | BDBM50287883
(CHEMBL412003 | Suc-Glu-Ala-Gly-Tyr-Phe-Ala-His-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C74H99N15O21/c1-9-39(5)62(72(107)87-56(74(109)110)31-45-34-76-49-19-15-14-18-48(45)49)89-73(108)63(40(6)10-2)88-71(106)55(33-61(97)98)86-68(103)51(28-38(3)4)84-70(105)54(32-46-35-75-37-78-46)83-65(100)42(8)80-67(102)53(29-43-16-12-11-13-17-43)85-69(104)52(30-44-20-22-47(90)23-21-44)82-58(92)36-77-64(99)41(7)79-66(101)50(24-26-59(93)94)81-57(91)25-27-60(95)96/h11-23,34-35,37-42,50-56,62-63,76,90H,9-10,24-33,36H2,1-8H3,(H,75,78)(H,77,99)(H,79,101)(H,80,102)(H,81,91)(H,82,92)(H,83,100)(H,84,105)(H,85,104)(H,86,103)(H,87,107)(H,88,106)(H,89,108)(H,93,94)(H,95,96)(H,97,98)(H,109,110)/t39-,40-,41-,42+,50-,51-,52-,53-,54-,55-,56-,62-,63-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Sus scrofa) | BDBM50071433
((S)-2-{(R)-3-Biphenyl-4-yl-2-[(3,5-dimethyl-benzoy...)Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H35N3O4/c1-23-17-24(2)19-28(18-23)35(41)39(3)33(20-25-13-15-27(16-14-25)26-9-5-4-6-10-26)34(40)38-32(36(42)43)21-29-22-37-31-12-8-7-11-30(29)31/h4-19,22,32-33,37H,20-21H2,1-3H3,(H,38,40)(H,42,43)/t32-,33+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Endothelin receptor type B
(Sus scrofa) | BDBM50287882
(CHEMBL412065 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-Gly-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C73H101N13O21/c1-11-39(7)61(71(104)83-54(73(106)107)33-45-35-74-48-21-17-16-20-47(45)48)86-72(105)62(40(8)12-2)85-69(102)53(34-59(94)95)81-67(100)50(30-37(3)4)79-56(89)36-75-63(96)41(9)76-66(99)51(31-43-18-14-13-15-19-43)80-68(101)52(32-44-22-24-46(87)25-23-44)82-70(103)60(38(5)6)84-64(97)42(10)77-65(98)49(26-28-57(90)91)78-55(88)27-29-58(92)93/h13-25,35,37-42,49-54,60-62,74,87H,11-12,26-34,36H2,1-10H3,(H,75,96)(H,76,99)(H,77,98)(H,78,88)(H,79,89)(H,80,101)(H,81,100)(H,82,103)(H,83,104)(H,84,97)(H,85,102)(H,86,105)(H,90,91)(H,92,93)(H,94,95)(H,106,107)/t39-,40-,41-,42-,49-,50-,51-,52-,53-,54-,60-,61-,62-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Sus scrofa) | BDBM50287878
(CGP-49941 | CHEMBL305615 | N-{(R)-1-[2-(1H-Indol-3...)Show SMILES CN([C@H](Cc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C29H31N3O2/c1-20-15-21(2)17-24(16-20)29(34)32(3)27(18-22-9-5-4-6-10-22)28(33)30-14-13-23-19-31-26-12-8-7-11-25(23)26/h4-12,15-17,19,27,31H,13-14,18H2,1-3H3,(H,30,33)/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Sus scrofa) | BDBM50287888
(CHEMBL407559 | Suc-Glu-Ala-Val-Tyr-Phe-Gly-His-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C76H103N15O21/c1-10-41(7)64(74(109)88-57(76(111)112)32-46-35-78-50-20-16-15-19-49(46)50)91-75(110)65(42(8)11-2)90-72(107)56(34-62(99)100)86-69(104)52(29-39(3)4)84-71(106)55(33-47-36-77-38-80-47)83-59(94)37-79-67(102)53(30-44-17-13-12-14-18-44)85-70(105)54(31-45-21-23-48(92)24-22-45)87-73(108)63(40(5)6)89-66(101)43(9)81-68(103)51(25-27-60(95)96)82-58(93)26-28-61(97)98/h12-24,35-36,38-43,51-57,63-65,78,92H,10-11,25-34,37H2,1-9H3,(H,77,80)(H,79,102)(H,81,103)(H,82,93)(H,83,94)(H,84,106)(H,85,105)(H,86,104)(H,87,108)(H,88,109)(H,89,101)(H,90,107)(H,91,110)(H,95,96)(H,97,98)(H,99,100)(H,111,112)/t41-,42-,43-,51-,52-,53-,54-,55-,56-,57-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Sus scrofa) | BDBM50287886
(CHEMBL405796 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Gly...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C73H97N15O21/c1-9-38(5)61(71(106)85-54(73(108)109)30-44-33-75-48-19-15-14-18-47(44)48)88-72(107)62(39(6)10-2)87-69(104)53(32-59(96)97)81-56(91)35-76-65(100)52(31-45-34-74-36-77-45)82-63(98)40(7)79-67(102)50(28-42-16-12-11-13-17-42)83-68(103)51(29-43-20-22-46(89)23-21-43)84-70(105)60(37(3)4)86-64(99)41(8)78-66(101)49(24-26-57(92)93)80-55(90)25-27-58(94)95/h11-23,33-34,36-41,49-54,60-62,75,89H,9-10,24-32,35H2,1-8H3,(H,74,77)(H,76,100)(H,78,101)(H,79,102)(H,80,90)(H,81,91)(H,82,98)(H,83,103)(H,84,105)(H,85,106)(H,86,99)(H,87,104)(H,88,107)(H,92,93)(H,94,95)(H,96,97)(H,108,109)/t38-,39-,40-,41-,49-,50-,51-,52-,53-,54-,60-,61-,62-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Sus scrofa) | BDBM50287887
(CHEMBL413604 | Suc-Glu-Ala-Val-Gly-Phe-Ala-His-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C70H99N15O20/c1-11-37(7)58(68(102)82-51(70(104)105)28-42-31-72-45-21-17-16-20-44(42)45)85-69(103)59(38(8)12-2)84-66(100)50(30-56(92)93)81-64(98)47(26-35(3)4)80-65(99)49(29-43-32-71-34-74-43)79-60(94)39(9)76-63(97)48(27-41-18-14-13-15-19-41)78-53(87)33-73-67(101)57(36(5)6)83-61(95)40(10)75-62(96)46(22-24-54(88)89)77-52(86)23-25-55(90)91/h13-21,31-32,34-40,46-51,57-59,72H,11-12,22-30,33H2,1-10H3,(H,71,74)(H,73,101)(H,75,96)(H,76,97)(H,77,86)(H,78,87)(H,79,94)(H,80,99)(H,81,98)(H,82,102)(H,83,95)(H,84,100)(H,85,103)(H,88,89)(H,90,91)(H,92,93)(H,104,105)/t37-,38-,39+,40-,46-,47-,48-,49-,50-,51-,57-,58-,59-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Sus scrofa) | BDBM50287880
((S)-3-(1H-Indol-3-yl)-2-[(2-phenyl-cyclopropanecar...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC1c1ccccc1 Show InChI InChI=1S/C21H20N2O3/c24-20(17-11-16(17)13-6-2-1-3-7-13)23-19(21(25)26)10-14-12-22-18-9-5-4-8-15(14)18/h1-9,12,16-17,19,22H,10-11H2,(H,23,24)(H,25,26)/t16?,17?,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Sus scrofa) | BDBM50071431
((S)-2-{(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...)Show SMILES CN([C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C30H31N3O4/c1-19-13-20(2)15-22(14-19)29(35)33(3)27(16-21-9-5-4-6-10-21)28(34)32-26(30(36)37)17-23-18-31-25-12-8-7-11-24(23)25/h4-15,18,26-27,31H,16-17H2,1-3H3,(H,32,34)(H,36,37)/t26-,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Sus scrofa) | BDBM50287885
(CHEMBL405377 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C75H103N15O19/c1-11-41(7)63(74(107)90-64(42(8)12-2)73(106)87-57(75(108)109)33-47-35-77-51-21-17-16-20-50(47)51)88-59(93)37-78-67(100)53(30-39(3)4)84-71(104)56(34-48-36-76-38-79-48)83-65(98)43(9)81-69(102)54(31-45-18-14-13-15-19-45)85-70(103)55(32-46-22-24-49(91)25-23-46)86-72(105)62(40(5)6)89-66(99)44(10)80-68(101)52(26-28-60(94)95)82-58(92)27-29-61(96)97/h13-25,35-36,38-44,52-57,62-64,77,91H,11-12,26-34,37H2,1-10H3,(H,76,79)(H,78,100)(H,80,101)(H,81,102)(H,82,92)(H,83,98)(H,84,104)(H,85,103)(H,86,105)(H,87,106)(H,88,93)(H,89,99)(H,90,107)(H,94,95)(H,96,97)(H,108,109)/t41-,42-,43-,44-,52-,53-,54-,55-,56-,57-,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Sus scrofa) | BDBM50287884
(CHEMBL411399 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C73H97N15O21/c1-9-39(6)62(72(107)86-55(73(108)109)30-44-33-75-48-18-14-13-17-47(44)48)87-57(91)35-76-65(100)54(32-60(96)97)84-68(103)50(27-37(2)3)82-70(105)53(31-45-34-74-36-77-45)81-63(98)40(7)79-67(102)51(28-42-15-11-10-12-16-42)83-69(104)52(29-43-19-21-46(89)22-20-43)85-71(106)61(38(4)5)88-64(99)41(8)78-66(101)49(23-25-58(92)93)80-56(90)24-26-59(94)95/h10-22,33-34,36-41,49-55,61-62,75,89H,9,23-32,35H2,1-8H3,(H,74,77)(H,76,100)(H,78,101)(H,79,102)(H,80,90)(H,81,98)(H,82,105)(H,83,104)(H,84,103)(H,85,106)(H,86,107)(H,87,91)(H,88,99)(H,92,93)(H,94,95)(H,96,97)(H,108,109)/t39-,40-,41-,49-,50-,51-,52-,53-,54-,55-,61-,62-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Sus scrofa) | BDBM50287882
(CHEMBL412065 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-Gly-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C73H101N13O21/c1-11-39(7)61(71(104)83-54(73(106)107)33-45-35-74-48-21-17-16-20-47(45)48)86-72(105)62(40(8)12-2)85-69(102)53(34-59(94)95)81-67(100)50(30-37(3)4)79-56(89)36-75-63(96)41(9)76-66(99)51(31-43-18-14-13-15-19-43)80-68(101)52(32-44-22-24-46(87)25-23-44)82-70(103)60(38(5)6)84-64(97)42(10)77-65(98)49(26-28-57(90)91)78-55(88)27-29-58(92)93/h13-25,35,37-42,49-54,60-62,74,87H,11-12,26-34,36H2,1-10H3,(H,75,96)(H,76,99)(H,77,98)(H,78,88)(H,79,89)(H,80,101)(H,81,100)(H,82,103)(H,83,104)(H,84,97)(H,85,102)(H,86,105)(H,90,91)(H,92,93)(H,94,95)(H,106,107)/t39-,40-,41-,42-,49-,50-,51-,52-,53-,54-,60-,61-,62-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Sus scrofa) | BDBM50287889
(CHEMBL412002 | Suc-Glu-Ala-Val-Tyr-Gly-Ala-His-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C70H99N15O21/c1-11-36(7)58(68(103)82-51(70(105)106)27-41-30-72-45-16-14-13-15-44(41)45)85-69(104)59(37(8)12-2)84-66(101)50(29-56(93)94)80-64(99)47(25-34(3)4)79-65(100)49(28-42-31-71-33-74-42)78-60(95)38(9)75-53(88)32-73-62(97)48(26-40-17-19-43(86)20-18-40)81-67(102)57(35(5)6)83-61(96)39(10)76-63(98)46(21-23-54(89)90)77-52(87)22-24-55(91)92/h13-20,30-31,33-39,46-51,57-59,72,86H,11-12,21-29,32H2,1-10H3,(H,71,74)(H,73,97)(H,75,88)(H,76,98)(H,77,87)(H,78,95)(H,79,100)(H,80,99)(H,81,102)(H,82,103)(H,83,96)(H,84,101)(H,85,104)(H,89,90)(H,91,92)(H,93,94)(H,105,106)/t36-,37-,38+,39-,46-,47-,48-,49-,50-,51-,57-,58-,59-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Sus scrofa) | BDBM50071433
((S)-2-{(R)-3-Biphenyl-4-yl-2-[(3,5-dimethyl-benzoy...)Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H35N3O4/c1-23-17-24(2)19-28(18-23)35(41)39(3)33(20-25-13-15-27(16-14-25)26-9-5-4-6-10-26)34(40)38-32(36(42)43)21-29-22-37-31-12-8-7-11-30(29)31/h4-19,22,32-33,37H,20-21H2,1-3H3,(H,38,40)(H,42,43)/t32-,33+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Sus scrofa) | BDBM50287890
(CHEMBL427778 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C77H105N15O21/c1-11-41(7)64(75(110)89-58(77(112)113)33-47-36-79-51-21-17-16-20-50(47)51)92-76(111)65(42(8)12-2)91-73(108)57(35-62(99)100)87-70(105)53(30-39(3)4)85-72(107)56(34-48-37-78-38-80-48)84-66(101)43(9)82-69(104)54(31-45-18-14-13-15-19-45)86-71(106)55(32-46-22-24-49(93)25-23-46)88-74(109)63(40(5)6)90-67(102)44(10)81-68(103)52(26-28-60(95)96)83-59(94)27-29-61(97)98/h13-25,36-44,52-58,63-65,79,93H,11-12,26-35H2,1-10H3,(H,78,80)(H,81,103)(H,82,104)(H,83,94)(H,84,101)(H,85,107)(H,86,106)(H,87,105)(H,88,109)(H,89,110)(H,90,102)(H,91,108)(H,92,111)(H,95,96)(H,97,98)(H,99,100)(H,112,113)/t41-,42-,43-,44-,52-,53-,54-,55-,56-,57-,58-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Sus scrofa) | BDBM50287883
(CHEMBL412003 | Suc-Glu-Ala-Gly-Tyr-Phe-Ala-His-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C74H99N15O21/c1-9-39(5)62(72(107)87-56(74(109)110)31-45-34-76-49-19-15-14-18-48(45)49)89-73(108)63(40(6)10-2)88-71(106)55(33-61(97)98)86-68(103)51(28-38(3)4)84-70(105)54(32-46-35-75-37-78-46)83-65(100)42(8)80-67(102)53(29-43-16-12-11-13-17-43)85-69(104)52(30-44-20-22-47(90)23-21-44)82-58(92)36-77-64(99)41(7)79-66(101)50(24-26-59(93)94)81-57(91)25-27-60(95)96/h11-23,34-35,37-42,50-56,62-63,76,90H,9-10,24-33,36H2,1-8H3,(H,75,78)(H,77,99)(H,79,101)(H,80,102)(H,81,91)(H,82,92)(H,83,100)(H,84,105)(H,85,104)(H,86,103)(H,87,107)(H,88,106)(H,89,108)(H,93,94)(H,95,96)(H,97,98)(H,109,110)/t39-,40-,41-,42+,50-,51-,52-,53-,54-,55-,56-,62-,63-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Sus scrofa) | BDBM50287888
(CHEMBL407559 | Suc-Glu-Ala-Val-Tyr-Phe-Gly-His-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C76H103N15O21/c1-10-41(7)64(74(109)88-57(76(111)112)32-46-35-78-50-20-16-15-19-49(46)50)91-75(110)65(42(8)11-2)90-72(107)56(34-62(99)100)86-69(104)52(29-39(3)4)84-71(106)55(33-47-36-77-38-80-47)83-59(94)37-79-67(102)53(30-44-17-13-12-14-18-44)85-70(105)54(31-45-21-23-48(92)24-22-45)87-73(108)63(40(5)6)89-66(101)43(9)81-68(103)51(25-27-60(95)96)82-58(93)26-28-61(97)98/h12-24,35-36,38-43,51-57,63-65,78,92H,10-11,25-34,37H2,1-9H3,(H,77,80)(H,79,102)(H,81,103)(H,82,93)(H,83,94)(H,84,106)(H,85,105)(H,86,104)(H,87,108)(H,88,109)(H,89,101)(H,90,107)(H,91,110)(H,95,96)(H,97,98)(H,99,100)(H,111,112)/t41-,42-,43-,51-,52-,53-,54-,55-,56-,57-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Sus scrofa) | BDBM50287887
(CHEMBL413604 | Suc-Glu-Ala-Val-Gly-Phe-Ala-His-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C70H99N15O20/c1-11-37(7)58(68(102)82-51(70(104)105)28-42-31-72-45-21-17-16-20-44(42)45)85-69(103)59(38(8)12-2)84-66(100)50(30-56(92)93)81-64(98)47(26-35(3)4)80-65(99)49(29-43-32-71-34-74-43)79-60(94)39(9)76-63(97)48(27-41-18-14-13-15-19-41)78-53(87)33-73-67(101)57(36(5)6)83-61(95)40(10)75-62(96)46(22-24-54(88)89)77-52(86)23-25-55(90)91/h13-21,31-32,34-40,46-51,57-59,72H,11-12,22-30,33H2,1-10H3,(H,71,74)(H,73,101)(H,75,96)(H,76,97)(H,77,86)(H,78,87)(H,79,94)(H,80,99)(H,81,98)(H,82,102)(H,83,95)(H,84,100)(H,85,103)(H,88,89)(H,90,91)(H,92,93)(H,104,105)/t37-,38-,39+,40-,46-,47-,48-,49-,50-,51-,57-,58-,59-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Sus scrofa) | BDBM50287879
(CHEMBL405753 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C73H97N15O21/c1-9-39(6)62(71(106)76-35-57(91)81-55(73(108)109)30-44-33-75-48-18-14-13-17-47(44)48)88-70(105)54(32-60(96)97)85-67(102)50(27-37(2)3)83-69(104)53(31-45-34-74-36-77-45)82-63(98)40(7)79-66(101)51(28-42-15-11-10-12-16-42)84-68(103)52(29-43-19-21-46(89)22-20-43)86-72(107)61(38(4)5)87-64(99)41(8)78-65(100)49(23-25-58(92)93)80-56(90)24-26-59(94)95/h10-22,33-34,36-41,49-55,61-62,75,89H,9,23-32,35H2,1-8H3,(H,74,77)(H,76,106)(H,78,100)(H,79,101)(H,80,90)(H,81,91)(H,82,98)(H,83,104)(H,84,103)(H,85,102)(H,86,107)(H,87,99)(H,88,105)(H,92,93)(H,94,95)(H,96,97)(H,108,109)/t39-,40-,41-,49-,50-,51-,52-,53-,54-,55-,61-,62-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Sus scrofa) | BDBM50287881
(CHEMBL216772 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)[C@@H](C)CC)C(=O)NCC(O)=O Show InChI InChI=1S/C68H98N14O21/c1-11-36(7)56(66(101)70-32-54(91)92)82-68(103)57(37(8)12-2)81-65(100)49(30-53(89)90)78-62(97)45(26-34(3)4)76-64(99)48(29-42-31-69-33-71-42)75-58(93)38(9)73-61(96)46(27-40-16-14-13-15-17-40)77-63(98)47(28-41-18-20-43(83)21-19-41)79-67(102)55(35(5)6)80-59(94)39(10)72-60(95)44(22-24-51(85)86)74-50(84)23-25-52(87)88/h13-21,31,33-39,44-49,55-57,83H,11-12,22-30,32H2,1-10H3,(H,69,71)(H,70,101)(H,72,95)(H,73,96)(H,74,84)(H,75,93)(H,76,99)(H,77,98)(H,78,97)(H,79,102)(H,80,94)(H,81,100)(H,82,103)(H,85,86)(H,87,88)(H,89,90)(H,91,92)/t36-,37+,38+,39+,44+,45+,46+,47+,48+,49+,55+,56+,57+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Sus scrofa) | BDBM50287889
(CHEMBL412002 | Suc-Glu-Ala-Val-Tyr-Gly-Ala-His-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C70H99N15O21/c1-11-36(7)58(68(103)82-51(70(105)106)27-41-30-72-45-16-14-13-15-44(41)45)85-69(104)59(37(8)12-2)84-66(101)50(29-56(93)94)80-64(99)47(25-34(3)4)79-65(100)49(28-42-31-71-33-74-42)78-60(95)38(9)75-53(88)32-73-62(97)48(26-40-17-19-43(86)20-18-40)81-67(102)57(35(5)6)83-61(96)39(10)76-63(98)46(21-23-54(89)90)77-52(87)22-24-55(91)92/h13-20,30-31,33-39,46-51,57-59,72,86H,11-12,21-29,32H2,1-10H3,(H,71,74)(H,73,97)(H,75,88)(H,76,98)(H,77,87)(H,78,95)(H,79,100)(H,80,99)(H,81,102)(H,82,103)(H,83,96)(H,84,101)(H,85,104)(H,89,90)(H,91,92)(H,93,94)(H,105,106)/t36-,37-,38+,39-,46-,47-,48-,49-,50-,51-,57-,58-,59-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Sus scrofa) | BDBM50287881
(CHEMBL216772 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)[C@@H](C)CC)C(=O)NCC(O)=O Show InChI InChI=1S/C68H98N14O21/c1-11-36(7)56(66(101)70-32-54(91)92)82-68(103)57(37(8)12-2)81-65(100)49(30-53(89)90)78-62(97)45(26-34(3)4)76-64(99)48(29-42-31-69-33-71-42)75-58(93)38(9)73-61(96)46(27-40-16-14-13-15-17-40)77-63(98)47(28-41-18-20-43(83)21-19-41)79-67(102)55(35(5)6)80-59(94)39(10)72-60(95)44(22-24-51(85)86)74-50(84)23-25-52(87)88/h13-21,31,33-39,44-49,55-57,83H,11-12,22-30,32H2,1-10H3,(H,69,71)(H,70,101)(H,72,95)(H,73,96)(H,74,84)(H,75,93)(H,76,99)(H,77,98)(H,78,97)(H,79,102)(H,80,94)(H,81,100)(H,82,103)(H,85,86)(H,87,88)(H,89,90)(H,91,92)/t36-,37+,38+,39+,44+,45+,46+,47+,48+,49+,55+,56+,57+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Sus scrofa) | BDBM50287886
(CHEMBL405796 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Gly...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C73H97N15O21/c1-9-38(5)61(71(106)85-54(73(108)109)30-44-33-75-48-19-15-14-18-47(44)48)88-72(107)62(39(6)10-2)87-69(104)53(32-59(96)97)81-56(91)35-76-65(100)52(31-45-34-74-36-77-45)82-63(98)40(7)79-67(102)50(28-42-16-12-11-13-17-42)83-68(103)51(29-43-20-22-46(89)23-21-43)84-70(105)60(37(3)4)86-64(99)41(8)78-66(101)49(24-26-57(92)93)80-55(90)25-27-58(94)95/h11-23,33-34,36-41,49-54,60-62,75,89H,9-10,24-32,35H2,1-8H3,(H,74,77)(H,76,100)(H,78,101)(H,79,102)(H,80,90)(H,81,91)(H,82,98)(H,83,103)(H,84,105)(H,85,106)(H,86,99)(H,87,104)(H,88,107)(H,92,93)(H,94,95)(H,96,97)(H,108,109)/t38-,39-,40-,41-,49-,50-,51-,52-,53-,54-,60-,61-,62-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Sus scrofa) | BDBM50287879
(CHEMBL405753 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C73H97N15O21/c1-9-39(6)62(71(106)76-35-57(91)81-55(73(108)109)30-44-33-75-48-18-14-13-17-47(44)48)88-70(105)54(32-60(96)97)85-67(102)50(27-37(2)3)83-69(104)53(31-45-34-74-36-77-45)82-63(98)40(7)79-66(101)51(28-42-15-11-10-12-16-42)84-68(103)52(29-43-19-21-46(89)22-20-43)86-72(107)61(38(4)5)87-64(99)41(8)78-65(100)49(23-25-58(92)93)80-56(90)24-26-59(94)95/h10-22,33-34,36-41,49-55,61-62,75,89H,9,23-32,35H2,1-8H3,(H,74,77)(H,76,106)(H,78,100)(H,79,101)(H,80,90)(H,81,91)(H,82,98)(H,83,104)(H,84,103)(H,85,102)(H,86,107)(H,87,99)(H,88,105)(H,92,93)(H,94,95)(H,96,97)(H,108,109)/t39-,40-,41-,49-,50-,51-,52-,53-,54-,55-,61-,62-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Sus scrofa) | BDBM50287884
(CHEMBL411399 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C73H97N15O21/c1-9-39(6)62(72(107)86-55(73(108)109)30-44-33-75-48-18-14-13-17-47(44)48)87-57(91)35-76-65(100)54(32-60(96)97)84-68(103)50(27-37(2)3)82-70(105)53(31-45-34-74-36-77-45)81-63(98)40(7)79-67(102)51(28-42-15-11-10-12-16-42)83-69(104)52(29-43-19-21-46(89)22-20-43)85-71(106)61(38(4)5)88-64(99)41(8)78-66(101)49(23-25-58(92)93)80-56(90)24-26-59(94)95/h10-22,33-34,36-41,49-55,61-62,75,89H,9,23-32,35H2,1-8H3,(H,74,77)(H,76,100)(H,78,101)(H,79,102)(H,80,90)(H,81,98)(H,82,105)(H,83,104)(H,84,103)(H,85,106)(H,86,107)(H,87,91)(H,88,99)(H,92,93)(H,94,95)(H,96,97)(H,108,109)/t39-,40-,41-,49-,50-,51-,52-,53-,54-,55-,61-,62-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Sus scrofa) | BDBM50071431
((S)-2-{(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...)Show SMILES CN([C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C30H31N3O4/c1-19-13-20(2)15-22(14-19)29(35)33(3)27(16-21-9-5-4-6-10-21)28(34)32-26(30(36)37)17-23-18-31-25-12-8-7-11-24(23)25/h4-15,18,26-27,31H,16-17H2,1-3H3,(H,32,34)(H,36,37)/t26-,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated |
Bioorg Med Chem Lett 6: 2323-2328 (1996)
Article DOI: 10.1016/0960-894X(96)00421-0
BindingDB Entry DOI: 10.7270/Q21J9B8K |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50458200
(CHEMBL3314031)Show SMILES CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc12 Show InChI InChI=1S/C27H25ClN4O2/c1-3-32-24-7-5-4-6-21(24)22-14-19(10-11-25(22)32)30-26(33)12-17(2)13-27(34)31-20-9-8-18(16-29)23(28)15-20/h4-11,14-15,17H,3,12-13H2,1-2H3,(H,30,33)(H,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled-(R)-N-(2-(3,5-difluoro-4-(trimethylsilyl)phenylamino)-1-(4-(methoxymethyl)phenyl)-2-oxoethyl)-5-(2-((1-(difluoroboryl)... |
Bioorg Med Chem 26: 721-736 (2018)
Article DOI: 10.1016/j.bmc.2017.12.039
BindingDB Entry DOI: 10.7270/Q2542R7J |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50458200
(CHEMBL3314031)Show SMILES CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc12 Show InChI InChI=1S/C27H25ClN4O2/c1-3-32-24-7-5-4-6-21(24)22-14-19(10-11-25(22)32)30-26(33)12-17(2)13-27(34)31-20-9-8-18(16-29)23(28)15-20/h4-11,14-15,17H,3,12-13H2,1-2H3,(H,30,33)(H,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled-(R)-N-(2-(3,5-difluoro-4-(trimethylsilyl)phenylamino)-1-(4-(methoxymethyl)phenyl)-2-oxoethyl)-5-(2-((1-(difluoroboryl)... |
Bioorg Med Chem 26: 721-736 (2018)
Article DOI: 10.1016/j.bmc.2017.12.039
BindingDB Entry DOI: 10.7270/Q2542R7J |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50458200
(CHEMBL3314031)Show SMILES CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc12 Show InChI InChI=1S/C27H25ClN4O2/c1-3-32-24-7-5-4-6-21(24)22-14-19(10-11-25(22)32)30-26(33)12-17(2)13-27(34)31-20-9-8-18(16-29)23(28)15-20/h4-11,14-15,17H,3,12-13H2,1-2H3,(H,30,33)(H,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled-(R)-N-(2-(3,5-difluoro-4-(trimethylsilyl)phenylamino)-1-(4-(methoxymethyl)phenyl)-2-oxoethyl)-5-(2-((1-(difluoroboryl)... |
Bioorg Med Chem 26: 721-736 (2018)
Article DOI: 10.1016/j.bmc.2017.12.039
BindingDB Entry DOI: 10.7270/Q2542R7J |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50460089
(CHEMBL4226373)Show SMILES CCn1c2ccc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)cc2c(=O)n(CC2CC2)c1=O Show InChI InChI=1S/C27H28ClN5O4/c1-3-32-23-9-8-19(12-21(23)26(36)33(27(32)37)15-17-4-5-17)30-24(34)10-16(2)11-25(35)31-20-7-6-18(14-29)22(28)13-20/h6-9,12-13,16-17H,3-5,10-11,15H2,1-2H3,(H,30,34)(H,31,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled-(R)-N-(2-(3,5-difluoro-4-(trimethylsilyl)phenylamino)-1-(4-(methoxymethyl)phenyl)-2-oxoethyl)-5-(2-((1-(difluoroboryl)... |
Bioorg Med Chem 26: 721-736 (2018)
Article DOI: 10.1016/j.bmc.2017.12.039
BindingDB Entry DOI: 10.7270/Q2542R7J |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50452856
(CHEMBL4217811)Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-[#8]-c2c1)-[#6](=O)-c1cc(-[#8])no1)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H25F2N3O6Si/c1-33-14-5-6-15-18(11-14)34-8-7-29(24(32)19-12-20(30)28-35-19)21(15)23(31)27-13-9-16(25)22(17(26)10-13)36(2,3)4/h5-6,9-12,21H,7-8H2,1-4H3,(H,27,31)(H,28,30)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay |
Bioorg Med Chem 26: 470-482 (2018)
Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50452853
(CHEMBL4087736)Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C25H30F2N2O5Si/c1-34-17-8-9-18-15(12-17)10-11-29(21(30)6-5-7-22(31)32)23(18)25(33)28-16-13-19(26)24(20(27)14-16)35(2,3)4/h8-9,12-14,23H,5-7,10-11H2,1-4H3,(H,28,33)(H,31,32)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay |
Bioorg Med Chem 26: 470-482 (2018)
Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50452850
(CHEMBL4203255)Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C25H31F2N3O4Si/c1-34-17-8-9-18-15(12-17)10-11-30(22(32)7-5-6-21(28)31)23(18)25(33)29-16-13-19(26)24(20(27)14-16)35(2,3)4/h8-9,12-14,23H,5-7,10-11H2,1-4H3,(H2,28,31)(H,29,33)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay |
Bioorg Med Chem 26: 470-482 (2018)
Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50452854
(CHEMBL4205112)Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#8]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H28F2N2O6Si/c1-33-16-5-6-17-14(9-16)7-8-28(20(29)12-34-13-21(30)31)22(17)24(32)27-15-10-18(25)23(19(26)11-15)35(2,3)4/h5-6,9-11,22H,7-8,12-13H2,1-4H3,(H,27,32)(H,30,31)/t22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay |
Bioorg Med Chem 26: 470-482 (2018)
Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50460093
(CHEMBL4226313)Show SMILES CCn1c2ccc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)cc2c(=O)n(CC)c1=O Show InChI InChI=1S/C25H26ClN5O4/c1-4-30-21-9-8-17(12-19(21)24(34)31(5-2)25(30)35)28-22(32)10-15(3)11-23(33)29-18-7-6-16(14-27)20(26)13-18/h6-9,12-13,15H,4-5,10-11H2,1-3H3,(H,28,32)(H,29,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled-(R)-N-(2-(3,5-difluoro-4-(trimethylsilyl)phenylamino)-1-(4-(methoxymethyl)phenyl)-2-oxoethyl)-5-(2-((1-(difluoroboryl)... |
Bioorg Med Chem 26: 721-736 (2018)
Article DOI: 10.1016/j.bmc.2017.12.039
BindingDB Entry DOI: 10.7270/Q2542R7J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50452843
(CHEMBL4217478)Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6](-[#6])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C26H32F2N2O5Si/c1-15(11-23(32)33)10-22(31)30-9-8-16-12-18(35-2)6-7-19(16)24(30)26(34)29-17-13-20(27)25(21(28)14-17)36(3,4)5/h6-7,12-15,24H,8-11H2,1-5H3,(H,29,34)(H,32,33)/t15?,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay |
Bioorg Med Chem 26: 470-482 (2018)
Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50460088
(CHEMBL4225541)Show SMILES CCn1c(=O)n(CC2CC2)c2ccc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)cc2c1=O Show InChI InChI=1S/C27H28ClN5O4/c1-3-32-26(36)21-12-19(8-9-23(21)33(27(32)37)15-17-4-5-17)30-24(34)10-16(2)11-25(35)31-20-7-6-18(14-29)22(28)13-20/h6-9,12-13,16-17H,3-5,10-11,15H2,1-2H3,(H,30,34)(H,31,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled-(R)-N-(2-(3,5-difluoro-4-(trimethylsilyl)phenylamino)-1-(4-(methoxymethyl)phenyl)-2-oxoethyl)-5-(2-((1-(difluoroboryl)... |
Bioorg Med Chem 26: 721-736 (2018)
Article DOI: 10.1016/j.bmc.2017.12.039
BindingDB Entry DOI: 10.7270/Q2542R7J |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50452840
(CHEMBL4209940)Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)\[#6]=[#6]\[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H26F2N2O5Si/c1-33-16-5-6-17-14(11-16)9-10-28(20(29)7-8-21(30)31)22(17)24(32)27-15-12-18(25)23(19(26)13-15)34(2,3)4/h5-8,11-13,22H,9-10H2,1-4H3,(H,27,32)(H,30,31)/b8-7+/t22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay |
Bioorg Med Chem 26: 470-482 (2018)
Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50452846
(CHEMBL4205579)Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H28F2N2O5Si/c1-33-16-5-6-17-14(11-16)9-10-28(20(29)7-8-21(30)31)22(17)24(32)27-15-12-18(25)23(19(26)13-15)34(2,3)4/h5-6,11-13,22H,7-10H2,1-4H3,(H,27,32)(H,30,31)/t22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay |
Bioorg Med Chem 26: 470-482 (2018)
Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50452848
(CHEMBL4213410)Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6@@H](-[#7](-[#6])-[#6](=O)-c1cc(-[#8])no1)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C23H25F2N3O5Si/c1-28(23(31)18-12-19(29)27-33-18)20(13-6-8-15(32-2)9-7-13)22(30)26-14-10-16(24)21(17(25)11-14)34(3,4)5/h6-12,20H,1-5H3,(H,26,30)(H,27,29)/t20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay |
Bioorg Med Chem 26: 470-482 (2018)
Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50452839
(CHEMBL4210540)Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]C([#6])([#8])[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C26H32F2N2O6Si/c1-26(35,14-22(32)33)13-21(31)30-9-8-15-10-17(36-2)6-7-18(15)23(30)25(34)29-16-11-19(27)24(20(28)12-16)37(3,4)5/h6-7,10-12,23,35H,8-9,13-14H2,1-5H3,(H,29,34)(H,32,33)/t23-,26?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay |
Bioorg Med Chem 26: 470-482 (2018)
Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50460097
(CHEMBL4228650)Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)Nc3ccc(cc3)C#N)ccc12 Show InChI InChI=1S/C26H24N4O2/c1-2-30-23-7-4-3-6-21(23)22-16-20(14-15-24(22)30)29-26(32)9-5-8-25(31)28-19-12-10-18(17-27)11-13-19/h3-4,6-7,10-16H,2,5,8-9H2,1H3,(H,28,31)(H,29,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled-(R)-N-(2-(3,5-difluoro-4-(trimethylsilyl)phenylamino)-1-(4-(methoxymethyl)phenyl)-2-oxoethyl)-5-(2-((1-(difluoroboryl)... |
Bioorg Med Chem 26: 721-736 (2018)
Article DOI: 10.1016/j.bmc.2017.12.039
BindingDB Entry DOI: 10.7270/Q2542R7J |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50460074
(CHEMBL4228907)Show SMILES CC(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1ccc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2c1 Show InChI InChI=1S/C29H30ClN5O4/c1-17(11-27(37)33-22-7-6-20(14-31)24(30)13-22)10-26(36)32-21-8-9-25-23(12-21)28(38)35(16-19-4-5-19)29(39)34(25)15-18-2-3-18/h6-9,12-13,17-19H,2-5,10-11,15-16H2,1H3,(H,32,36)(H,33,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled-(R)-N-(2-(3,5-difluoro-4-(trimethylsilyl)phenylamino)-1-(4-(methoxymethyl)phenyl)-2-oxoethyl)-5-(2-((1-(difluoroboryl)... |
Bioorg Med Chem 26: 721-736 (2018)
Article DOI: 10.1016/j.bmc.2017.12.039
BindingDB Entry DOI: 10.7270/Q2542R7J |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50460089
(CHEMBL4226373)Show SMILES CCn1c2ccc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)cc2c(=O)n(CC2CC2)c1=O Show InChI InChI=1S/C27H28ClN5O4/c1-3-32-23-9-8-19(12-21(23)26(36)33(27(32)37)15-17-4-5-17)30-24(34)10-16(2)11-25(35)31-20-7-6-18(14-29)22(28)13-20/h6-9,12-13,16-17H,3-5,10-11,15H2,1-2H3,(H,30,34)(H,31,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORgammat (unknown origin) expressed in human Jurkat cells assessed as inhibition of transcriptional activity after overn... |
Bioorg Med Chem 26: 721-736 (2018)
Article DOI: 10.1016/j.bmc.2017.12.039
BindingDB Entry DOI: 10.7270/Q2542R7J |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50452847
(CHEMBL4206093)Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-c1cc(-[#8])no1)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H25F2N3O5Si/c1-33-15-5-6-16-13(9-15)7-8-29(24(32)19-12-20(30)28-34-19)21(16)23(31)27-14-10-17(25)22(18(26)11-14)35(2,3)4/h5-6,9-12,21H,7-8H2,1-4H3,(H,27,31)(H,28,30)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay |
Bioorg Med Chem 26: 470-482 (2018)
Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50452842
(CHEMBL4210727)Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]C([#6])([#6])[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C27H34F2N2O5Si/c1-27(2,15-23(33)34)14-22(32)31-10-9-16-11-18(36-3)7-8-19(16)24(31)26(35)30-17-12-20(28)25(21(29)13-17)37(4,5)6/h7-8,11-13,24H,9-10,14-15H2,1-6H3,(H,30,35)(H,33,34)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay |
Bioorg Med Chem 26: 470-482 (2018)
Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR |
More data for this
Ligand-Target Pair | |
Search and Browse
