Found 9 hits of Enzyme Inhibition Constant Data 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 |
|---|
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50258829
(CHEMBL507053)Show SMILES CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)NCCNC(=O)CN(C)C)[C@@H](C)O |r| Show InChI InChI=1S/C64H69N15O18S5/c1-26(80)43-56(87)75-44(27(2)92-9)59-71-37(25-100-59)55(86)76-47-49-50(97-41-16-64(4,90)51(78(7)8)28(3)96-41)63(89)94-18-29-11-10-12-38-42(29)31(19-93-49)48(79(38)91)62(88)95-20-32(67-53(84)35-24-102-61(47)72-35)58-68-33(21-99-58)45-30(57-69-36(23-98-57)54(85)74-43)15-39(81)46(73-45)60-70-34(22-101-60)52(83)66-14-13-65-40(82)17-77(5)6/h10-12,15,21-26,28,32,41,43,47,49-51,80-81,90-91H,13-14,16-20H2,1-9H3,(H,65,82)(H,66,83)(H,67,84)(H,74,85)(H,75,87)(H,76,86)/b44-27+/t26-,28+,32+,41+,43+,47+,49+,50+,51-,64+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of AT2 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 3531-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.144
BindingDB Entry DOI: 10.7270/Q2639PNQ |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50258828
((1S,18S,21E,28S,29S,30S)-30-{[(2S,4S,5R,6S)-5-(dim...)Show SMILES CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)N1CCN(C)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C63H66N14O17S5/c1-26(78)42-54(83)72-43(27(2)89-8)57-67-36(24-97-57)53(82)73-46-48-49(94-40-17-63(4,87)50(74(5)6)28(3)93-40)62(86)91-18-29-10-9-11-38-41(29)31(19-90-48)47(77(38)88)61(85)92-20-32(64-51(80)34-23-98-59(46)68-34)56-65-33(21-96-56)44-30(55-66-35(22-95-55)52(81)71-42)16-39(79)45(70-44)58-69-37(25-99-58)60(84)76-14-12-75(7)13-15-76/h9-11,16,21-26,28,32,40,42,46,48-50,78-79,87-88H,12-15,17-20H2,1-8H3,(H,64,80)(H,71,81)(H,72,83)(H,73,82)/b43-27+/t26-,28+,32+,40+,42+,46+,48+,49+,50-,63+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of AT2 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 3531-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.144
BindingDB Entry DOI: 10.7270/Q2639PNQ |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50258825
(CHEMBL510526)Show SMILES CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)NCCN(C)C)[C@@H](C)O |r| Show InChI InChI=1S/C62H66N14O17S5/c1-25(77)41-54(83)72-42(26(2)88-9)57-68-36(24-96-57)53(82)73-45-47-48(93-39-16-62(4,86)49(75(7)8)27(3)92-39)61(85)90-17-28-11-10-12-37-40(28)30(18-89-47)46(76(37)87)60(84)91-19-31(64-51(80)34-23-98-59(45)69-34)56-65-32(20-95-56)43-29(55-66-35(22-94-55)52(81)71-41)15-38(78)44(70-43)58-67-33(21-97-58)50(79)63-13-14-74(5)6/h10-12,15,20-25,27,31,39,41,45,47-49,77-78,86-87H,13-14,16-19H2,1-9H3,(H,63,79)(H,64,80)(H,71,81)(H,72,83)(H,73,82)/b42-26+/t25-,27+,31+,39+,41+,45+,47+,48+,49-,62+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of AT2 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 3531-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.144
BindingDB Entry DOI: 10.7270/Q2639PNQ |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50258830
(CHEMBL508699)Show SMILES CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)NCCNC(=O)CN1CCOCC1)[C@@H](C)O |r| Show InChI InChI=1S/C66H71N15O19S5/c1-28(82)45-58(89)77-46(29(2)94-7)61-73-39(27-103-61)57(88)78-49-51-52(100-43-18-66(4,92)53(79(5)6)30(3)99-43)65(91)97-20-31-9-8-10-40-44(31)33(21-96-51)50(81(40)93)64(90)98-22-34(69-55(86)37-26-105-63(49)74-37)60-70-35(23-102-60)47-32(59-71-38(25-101-59)56(87)76-45)17-41(83)48(75-47)62-72-36(24-104-62)54(85)68-12-11-67-42(84)19-80-13-15-95-16-14-80/h8-10,17,23-28,30,34,43,45,49,51-53,82-83,92-93H,11-16,18-22H2,1-7H3,(H,67,84)(H,68,85)(H,69,86)(H,76,87)(H,77,89)(H,78,88)/b46-29+/t28-,30+,34+,43+,45+,49+,51+,52+,53-,66+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of AT2 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 3531-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.144
BindingDB Entry DOI: 10.7270/Q2639PNQ |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50258827
(CHEMBL508306)Show SMILES CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)NCCCN1CCOCC1)[C@@H](C)O |r| Show InChI InChI=1S/C65H70N14O18S5/c1-28(80)44-57(86)75-45(29(2)91-7)60-71-39(27-100-60)56(85)76-48-50-51(97-42-19-65(4,89)52(77(5)6)30(3)96-42)64(88)94-20-31-10-8-11-40-43(31)33(21-93-50)49(79(40)90)63(87)95-22-34(67-54(83)37-26-102-62(48)72-37)59-68-35(23-99-59)46-32(58-69-38(25-98-58)55(84)74-44)18-41(81)47(73-46)61-70-36(24-101-61)53(82)66-12-9-13-78-14-16-92-17-15-78/h8,10-11,18,23-28,30,34,42,44,48,50-52,80-81,89-90H,9,12-17,19-22H2,1-7H3,(H,66,82)(H,67,83)(H,74,84)(H,75,86)(H,76,85)/b45-29+/t28-,30+,34+,42+,44+,48+,50+,51+,52-,65+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of AT2 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 3531-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.144
BindingDB Entry DOI: 10.7270/Q2639PNQ |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50258831
(CHEMBL505204)Show SMILES CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(OC)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)NCCCN1CCN(C)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C67H75N15O17S5/c1-30(83)46-59(88)77-47(31(2)93-8)62-73-41(29-102-62)58(87)78-50-52-53(99-44-21-67(4,91)54(79(5)6)32(3)98-44)66(90)96-22-33-12-10-13-42-45(33)35(23-95-52)51(82(42)92)65(89)97-24-36(69-56(85)39-28-104-64(50)74-39)61-70-37(25-101-61)48-34(60-71-40(27-100-60)57(86)76-46)20-43(94-9)49(75-48)63-72-38(26-103-63)55(84)68-14-11-15-81-18-16-80(7)17-19-81/h10,12-13,20,25-30,32,36,44,46,50,52-54,83,91-92H,11,14-19,21-24H2,1-9H3,(H,68,84)(H,69,85)(H,76,86)(H,77,88)(H,78,87)/b47-31+/t30-,32+,36+,44+,46+,50+,52+,53+,54-,67+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of AT2 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 3531-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.144
BindingDB Entry DOI: 10.7270/Q2639PNQ |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50258824
(CHEMBL467872 | nocathiacin acid)Show SMILES CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(O)=O)[C@@H](C)O |r| Show InChI InChI=1S/C58H56N12O18S5/c1-21(71)37-49(76)67-38(22(2)83-7)52-62-31(19-91-52)48(75)68-41-43-44(88-35-12-58(4,81)45(69(5)6)23(3)87-35)57(80)85-13-24-9-8-10-33-36(24)26(14-84-43)42(70(33)82)56(79)86-15-27(59-46(73)29-18-92-54(41)63-29)51-60-28(16-90-51)39-25(50-61-30(17-89-50)47(74)66-37)11-34(72)40(65-39)53-64-32(20-93-53)55(77)78/h8-11,16-21,23,27,35,37,41,43-45,71-72,81-82H,12-15H2,1-7H3,(H,59,73)(H,66,74)(H,67,76)(H,68,75)(H,77,78)/b38-22+/t21-,23+,27+,35+,37+,41+,43+,44+,45-,58+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of AT2 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 3531-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.144
BindingDB Entry DOI: 10.7270/Q2639PNQ |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50258832
(CHEMBL504492)Show SMILES CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(OC)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)NCCCN1CCOCC1)[C@@H](C)O |r| Show InChI InChI=1S/C66H72N14O18S5/c1-29(81)45-58(86)76-46(30(2)91-7)61-72-40(28-101-61)57(85)77-49-51-52(98-43-20-66(4,89)53(78(5)6)31(3)97-43)65(88)95-21-32-11-9-12-41-44(32)34(22-94-51)50(80(41)90)64(87)96-23-35(68-55(83)38-27-103-63(49)73-38)60-69-36(24-100-60)47-33(59-70-39(26-99-59)56(84)75-45)19-42(92-8)48(74-47)62-71-37(25-102-62)54(82)67-13-10-14-79-15-17-93-18-16-79/h9,11-12,19,24-29,31,35,43,45,49,51-53,81,89-90H,10,13-18,20-23H2,1-8H3,(H,67,82)(H,68,83)(H,75,84)(H,76,86)(H,77,85)/b46-30+/t29-,31+,35+,43+,45+,49+,51+,52+,53-,66+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of AT2 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 3531-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.144
BindingDB Entry DOI: 10.7270/Q2639PNQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50258832
(CHEMBL504492)Show SMILES CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(OC)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)NCCCN1CCOCC1)[C@@H](C)O |r| Show InChI InChI=1S/C66H72N14O18S5/c1-29(81)45-58(86)76-46(30(2)91-7)61-72-40(28-101-61)57(85)77-49-51-52(98-43-20-66(4,89)53(78(5)6)31(3)97-43)65(88)95-21-32-11-9-12-41-44(32)34(22-94-51)50(80(41)90)64(87)96-23-35(68-55(83)38-27-103-63(49)73-38)60-69-36(24-100-60)47-33(59-70-39(26-99-59)56(84)75-45)19-42(92-8)48(74-47)62-71-37(25-102-62)54(82)67-13-10-14-79-15-17-93-18-16-79/h9,11-12,19,24-29,31,35,43,45,49,51-53,81,89-90H,10,13-18,20-23H2,1-8H3,(H,67,82)(H,68,83)(H,75,84)(H,76,86)(H,77,85)/b46-30+/t29-,31+,35+,43+,45+,49+,51+,52+,53-,66+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 19: 3531-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.144
BindingDB Entry DOI: 10.7270/Q2639PNQ |
More data for this
Ligand-Target Pair | |
Search and Browse
