Found 145 hits with Last Name = 'takimoto' and Initial = 'm' 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 | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50395262
(CHEMBL2163999)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1 |r,wU:4.7,wD:1.0,(19.34,-11.51,;18,-12.28,;16.67,-11.51,;15.33,-12.28,;15.33,-13.82,;16.67,-14.59,;18,-13.82,;14,-14.59,;12.67,-13.82,;12.67,-12.28,;11.33,-11.51,;11.33,-9.97,;12.67,-9.2,;12.67,-7.66,;14,-6.89,;15.33,-7.66,;16.67,-6.89,;15.33,-9.2,;16.67,-9.97,;14,-9.97,;10,-12.28,;8.54,-11.8,;7.63,-13.05,;8.54,-14.29,;10,-13.82,;11.33,-14.59,)| Show InChI InChI=1S/C18H20ClFN6/c19-14-9-13(5-6-15(14)20)24-18-10-16(25-17-7-8-22-26(17)18)23-12-3-1-11(21)2-4-12/h5-12,24H,1-4,21H2,(H,23,25)/t11-,12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Competitive inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP by Lineweaver-Burke plot analysis |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
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 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) | 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-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 | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50395284
(CHEMBL2163996)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2ncc(Cl)c2n1 |r,wU:4.7,wD:1.0,(29.14,-17.97,;27.81,-18.73,;26.47,-17.96,;25.13,-18.72,;25.13,-20.25,;26.47,-21.03,;27.8,-20.27,;23.8,-21.02,;22.47,-20.25,;22.47,-18.71,;21.14,-17.93,;21.14,-16.39,;22.48,-15.62,;22.47,-14.09,;23.8,-13.32,;25.14,-14.09,;26.48,-13.32,;25.14,-15.63,;26.47,-16.41,;23.8,-16.4,;19.81,-18.7,;18.33,-18.22,;17.42,-19.47,;18.33,-20.72,;17.86,-22.19,;19.81,-20.25,;21.14,-21.01,)| Show InChI InChI=1S/C18H19Cl2FN6/c19-13-7-12(5-6-15(13)21)25-17-8-16(24-11-3-1-10(22)2-4-11)26-18-14(20)9-23-27(17)18/h5-11,25H,1-4,22H2,(H,24,26)/t10-,11- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50395283
(CHEMBL2163995)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2ncc(Br)c2n1 |r,wU:4.7,wD:1.0,(44.37,-17.79,;43.03,-18.55,;41.7,-17.78,;40.35,-18.54,;40.35,-20.07,;41.69,-20.85,;43.02,-20.09,;39.02,-20.84,;37.69,-20.07,;37.69,-18.53,;36.36,-17.75,;36.36,-16.21,;37.7,-15.44,;37.69,-13.91,;39.02,-13.14,;40.36,-13.91,;41.7,-13.14,;40.36,-15.45,;41.69,-16.23,;39.02,-16.22,;35.03,-18.52,;33.56,-18.04,;32.65,-19.29,;33.56,-20.55,;33.08,-22.01,;35.03,-20.07,;36.36,-20.83,)| Show InChI InChI=1S/C18H19BrClFN6/c19-13-9-23-27-17(25-12-5-6-15(21)14(20)7-12)8-16(26-18(13)27)24-11-3-1-10(22)2-4-11/h5-11,25H,1-4,22H2,(H,24,26)/t10-,11- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50395285
(CHEMBL2163997)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2ncc(C#N)c2n1 |r,wU:4.7,wD:1.0,(14.04,-16.11,;12.7,-16.87,;11.37,-16.1,;10.03,-16.86,;10.03,-18.39,;11.36,-19.17,;12.69,-18.41,;8.69,-19.16,;7.36,-18.39,;7.36,-16.85,;6.03,-16.07,;6.04,-14.53,;7.37,-13.76,;7.37,-12.23,;8.7,-11.46,;10.04,-12.23,;11.37,-11.46,;10.03,-13.77,;11.36,-14.55,;8.7,-14.54,;4.7,-16.84,;3.23,-16.36,;2.32,-17.61,;3.23,-18.87,;2.76,-20.34,;2.28,-21.8,;4.7,-18.39,;6.03,-19.15,)| Show InChI InChI=1S/C19H19ClFN7/c20-15-7-14(5-6-16(15)21)26-18-8-17(25-13-3-1-12(23)2-4-13)27-19-11(9-22)10-24-28(18)19/h5-8,10,12-13,26H,1-4,23H2,(H,25,27)/t12-,13- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50395272
(CHEMBL1231206)Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccc(C)nc2)C(=O)N1 |r| Show InChI InChI=1S/C21H18N4OS/c1-11-3-4-13(10-22-11)15-6-5-14-16(25-15)7-8-17-18(14)19-20(27-17)21(26)24-12(2)9-23-19/h3-8,10,12,23H,9H2,1-2H3,(H,24,26)/t12-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant MAPKAP-K2 using KKKALSRQLSVAA as substrate after 4 mins by surface plasmon resonance spectroscopic analysis |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50395267
(CHEMBL2163608)Show SMILES Cc1nc2ccc(Nc3c(C)c(N[C@H]4CCCNC4)nc4ccnn34)cc2s1 |r| Show InChI InChI=1S/C20H23N7S/c1-12-19(24-15-4-3-8-21-11-15)26-18-7-9-22-27(18)20(12)25-14-5-6-16-17(10-14)28-13(2)23-16/h5-7,9-10,15,21,25H,3-4,8,11H2,1-2H3,(H,24,26)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50395262
(CHEMBL2163999)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1 |r,wU:4.7,wD:1.0,(19.34,-11.51,;18,-12.28,;16.67,-11.51,;15.33,-12.28,;15.33,-13.82,;16.67,-14.59,;18,-13.82,;14,-14.59,;12.67,-13.82,;12.67,-12.28,;11.33,-11.51,;11.33,-9.97,;12.67,-9.2,;12.67,-7.66,;14,-6.89,;15.33,-7.66,;16.67,-6.89,;15.33,-9.2,;16.67,-9.97,;14,-9.97,;10,-12.28,;8.54,-11.8,;7.63,-13.05,;8.54,-14.29,;10,-13.82,;11.33,-14.59,)| Show InChI InChI=1S/C18H20ClFN6/c19-14-9-13(5-6-15(14)20)24-18-10-16(25-17-7-8-22-26(17)18)23-12-3-1-11(21)2-4-12/h5-12,24H,1-4,21H2,(H,23,25)/t11-,12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50395269
(CHEMBL2163610)Show SMILES CC(=O)c1ccc(s1)-c1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r| Show InChI InChI=1S/C24H26N6OS/c1-15-23(27-19-4-3-12-25-14-19)29-22-11-13-26-30(22)24(15)28-18-7-5-17(6-8-18)21-10-9-20(32-21)16(2)31/h5-11,13,19,25,28H,3-4,12,14H2,1-2H3,(H,27,29)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50395268
(CHEMBL2163611)Show SMILES Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc2n(C)ncc2c1 |r| Show InChI InChI=1S/C20H24N8/c1-13-19(24-16-4-3-8-21-12-16)26-18-7-9-22-28(18)20(13)25-15-5-6-17-14(10-15)11-23-27(17)2/h5-7,9-11,16,21,25H,3-4,8,12H2,1-2H3,(H,24,26)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50225787
(2,4-diamino-6,7-dihydroxy-10H-9-oxa-1-aza-anthrace...)Show InChI InChI=1S/C13H10N4O3/c14-4-7-11(15)6-1-5-2-8(18)9(19)3-10(5)20-13(6)17-12(7)16/h2-3,18-19H,1H2,(H4,15,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MAPKAP-K2 |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50395274
(CHEMBL1235213)Show SMILES CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r| Show InChI InChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50395275
(CHEMBL2163616)Show SMILES COCCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r| Show InChI InChI=1S/C21H28N6O2/c1-15-20(24-17-4-3-10-22-14-17)26-19-9-11-23-27(19)21(15)25-16-5-7-18(8-6-16)29-13-12-28-2/h5-9,11,17,22,25H,3-4,10,12-14H2,1-2H3,(H,24,26)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50395270
(CHEMBL2163609)Show SMILES Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc(cc1)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C24H31N7O/c1-16-22(27-20-7-4-13-25-15-20)30-21-12-14-26-31(21)23(16)28-19-10-8-17(9-11-19)24(32)29-18-5-2-3-6-18/h8-12,14,18,20,25,28H,2-7,13,15H2,1H3,(H,27,30)(H,29,32)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50395271
(CHEMBL2163612)Show SMILES Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc(OCCN2CCOCC2)cc1 |r| Show InChI InChI=1S/C24H33N7O2/c1-18-23(27-20-3-2-9-25-17-20)29-22-8-10-26-31(22)24(18)28-19-4-6-21(7-5-19)33-16-13-30-11-14-32-15-12-30/h4-8,10,20,25,28H,2-3,9,11-17H2,1H3,(H,27,29)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50395266
(CHEMBL2163607)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccccc2Cl)n2nccc2n1 |r,wU:4.7,wD:1.0,(49.15,-85.52,;47.81,-86.29,;46.48,-85.51,;45.14,-86.27,;45.14,-87.8,;46.47,-88.59,;47.8,-87.83,;43.8,-88.57,;42.47,-87.8,;42.47,-86.26,;41.14,-85.48,;41.15,-83.94,;39.82,-83.17,;38.49,-83.93,;37.16,-83.17,;37.16,-81.62,;38.5,-80.85,;39.83,-81.63,;41.16,-80.86,;39.81,-86.25,;38.34,-85.77,;37.43,-87.03,;38.34,-88.28,;39.81,-87.8,;41.14,-88.56,)| Show InChI InChI=1S/C18H21ClN6/c19-14-3-1-2-4-15(14)23-18-11-16(24-17-9-10-21-25(17)18)22-13-7-5-12(20)6-8-13/h1-4,9-13,23H,5-8,20H2,(H,22,24)/t12-,13- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50395303
(CHEMBL2163981)Show SMILES CCOc1ccc(Nc2c(C)c(N[C@H]3CC[C@H](N)CC3)nc3ccnn23)cc1 |r,wU:13.12,wD:16.16,(27.41,-30.13,;26.07,-30.9,;24.74,-30.13,;23.41,-30.9,;23.4,-32.44,;22.07,-33.2,;20.74,-32.43,;19.4,-33.19,;19.4,-34.73,;20.73,-35.51,;22.06,-34.74,;20.73,-37.05,;22.06,-37.82,;23.4,-37.05,;23.39,-35.52,;24.74,-34.76,;26.07,-35.54,;27.41,-34.77,;26.06,-37.08,;24.73,-37.84,;19.4,-37.81,;18.07,-37.05,;16.6,-37.53,;15.69,-36.28,;16.6,-35.02,;18.07,-35.5,;20.73,-30.89,;22.06,-30.12,)| Show InChI InChI=1S/C21H28N6O/c1-3-28-18-10-8-17(9-11-18)25-21-14(2)20(26-19-12-13-23-27(19)21)24-16-6-4-15(22)5-7-16/h8-13,15-16,25H,3-7,22H2,1-2H3,(H,24,26)/t15-,16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50395266
(CHEMBL2163607)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccccc2Cl)n2nccc2n1 |r,wU:4.7,wD:1.0,(49.15,-85.52,;47.81,-86.29,;46.48,-85.51,;45.14,-86.27,;45.14,-87.8,;46.47,-88.59,;47.8,-87.83,;43.8,-88.57,;42.47,-87.8,;42.47,-86.26,;41.14,-85.48,;41.15,-83.94,;39.82,-83.17,;38.49,-83.93,;37.16,-83.17,;37.16,-81.62,;38.5,-80.85,;39.83,-81.63,;41.16,-80.86,;39.81,-86.25,;38.34,-85.77,;37.43,-87.03,;38.34,-88.28,;39.81,-87.8,;41.14,-88.56,)| Show InChI InChI=1S/C18H21ClN6/c19-14-3-1-2-4-15(14)23-18-11-16(24-17-9-10-21-25(17)18)22-13-7-5-12(20)6-8-13/h1-4,9-13,23H,5-8,20H2,(H,22,24)/t12-,13- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50395278
(CHEMBL2163984)Show InChI InChI=1S/C17H18ClFN6/c18-13-8-11(3-4-14(13)19)23-17-9-15(22-12-2-1-6-20-10-12)24-16-5-7-21-25(16)17/h3-5,7-9,12,20,23H,1-2,6,10H2,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50395281
(CHEMBL2163993)Show SMILES CCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 |r,wU:5.4,wD:8.8,(24.02,-27.62,;24.01,-29.16,;22.68,-29.93,;22.68,-31.47,;24.01,-32.24,;25.34,-31.47,;25.34,-29.94,;26.68,-29.18,;28.02,-29.95,;29.35,-29.19,;28.01,-31.5,;26.68,-32.26,;21.35,-32.23,;20.02,-31.47,;18.54,-31.95,;17.63,-30.7,;18.54,-29.44,;20.02,-29.92,;21.35,-29.15,;21.35,-27.61,;20.02,-26.84,;20.03,-25.3,;18.7,-24.53,;17.36,-25.3,;16.03,-24.52,;17.36,-26.84,;16.03,-27.61,;18.69,-27.61,)| Show InChI InChI=1S/C20H24ClFN6/c1-2-15-19(25-13-5-3-12(23)4-6-13)27-18-9-10-24-28(18)20(15)26-14-7-8-17(22)16(21)11-14/h7-13,26H,2-6,23H2,1H3,(H,25,27)/t12-,13- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50395282
(CHEMBL2163994)Show SMILES Cc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 |r,wU:4.3,wD:7.7,(7.52,-28.97,;6.19,-29.74,;6.19,-31.28,;7.52,-32.05,;8.85,-31.28,;8.85,-29.75,;10.2,-28.98,;11.53,-29.76,;12.87,-29,;11.52,-31.3,;10.19,-32.06,;4.86,-32.04,;3.53,-31.28,;2.06,-31.75,;1.15,-30.5,;2.06,-29.25,;3.53,-29.73,;4.86,-28.96,;4.86,-27.42,;6.2,-26.65,;6.19,-25.12,;7.52,-24.35,;8.86,-25.12,;10.2,-24.35,;8.86,-26.66,;10.19,-27.44,;7.52,-27.43,)| Show InChI InChI=1S/C19H22ClFN6/c1-11-18(24-13-4-2-12(22)3-5-13)26-17-8-9-23-27(17)19(11)25-14-6-7-16(21)15(20)10-14/h6-10,12-13,25H,2-5,22H2,1H3,(H,24,26)/t12-,13- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Teijin Pharma Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter |
J Med Chem 55: 6700-15 (2012)
Article DOI: 10.1021/jm300411k
BindingDB Entry DOI: 10.7270/Q20K29PX |
More data for this
Ligand-Target Pair | |
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