Found 8 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 |
|---|
Histone-lysine N-methyltransferase PRDM9 [195-385]
(Homo sapiens (Human)) | BDBM228648
(H3 (1-25) K4me2 | MARTKQTARKSTGGKAPRKQLATKA)Show SMILES CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCC[NH+](C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C114H209N41O33S/c1-57(2)53-78(103(179)134-60(5)91(167)150-87(65(10)159)108(184)146-69(30-16-21-44-116)94(170)137-62(7)111(187)188)148-100(176)76(38-40-81(120)161)143-95(171)70(31-17-22-45-117)141-98(174)74(35-26-48-129-113(124)125)145-105(181)80-37-28-51-155(80)110(186)61(6)136-93(169)68(29-15-20-43-115)138-84(164)55-131-83(163)54-132-106(182)85(63(8)157)151-104(180)79(56-156)149-99(175)71(32-18-23-46-118)142-97(173)73(34-25-47-128-112(122)123)139-90(166)59(4)135-107(183)86(64(9)158)152-102(178)77(39-41-82(121)162)144-96(172)72(33-19-24-50-154(12)13)147-109(185)88(66(11)160)153-101(177)75(36-27-49-130-114(126)127)140-89(165)58(3)133-92(168)67(119)42-52-189-14/h57-80,85-88,156-160H,15-56,115-119H2,1-14H3,(H2,120,161)(H2,121,162)(H,131,163)(H,132,182)(H,133,168)(H,134,179)(H,135,183)(H,136,169)(H,137,170)(H,138,164)(H,139,166)(H,140,165)(H,141,174)(H,142,173)(H,143,171)(H,144,172)(H,145,181)(H,146,184)(H,147,185)(H,148,176)(H,149,175)(H,150,167)(H,151,180)(H,152,178)(H,153,177)(H,187,188)(H4,122,123,128)(H4,124,125,129)(H4,126,127,130)/p+1/t58-,59-,60-,61-,62-,63+,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,85-,86-,87-,88-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 5.80E+3 | n/a | n/a | n/a | 8.5 | 23 |
University of Toronto
| Assay Description
In this assay [3H]AdoMet (PerkinElmer Life Sciences; catalog number NET155V250UC)was used as a methyl donor to methylate biotinylated histone peptide... |
J Biol Chem 289: 12177-88 (2014)
Article DOI: 10.1074/jbc.M113.523183
BindingDB Entry DOI: 10.7270/Q2SQ8Z86 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase PRDM9 [195-385]
(Homo sapiens (Human)) | BDBM228649
(H3 (1-25) K4me3 | MARTKQTARKSTGGKAPRKQLATKA)Show SMILES CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C115H211N41O33S/c1-58(2)54-79(104(180)135-61(5)92(168)151-88(66(10)160)109(185)147-70(31-17-22-45-117)95(171)138-63(7)112(188)189)149-101(177)77(39-41-82(121)162)144-96(172)71(32-18-23-46-118)142-99(175)75(36-27-49-130-114(125)126)146-106(182)81-38-29-51-155(81)111(187)62(6)137-94(170)69(30-16-21-44-116)139-85(165)56-132-84(164)55-133-107(183)86(64(8)158)152-105(181)80(57-157)150-100(176)72(33-19-24-47-119)143-98(174)74(35-26-48-129-113(123)124)140-91(167)60(4)136-108(184)87(65(9)159)153-103(179)78(40-42-83(122)163)145-97(173)73(34-20-25-52-156(12,13)14)148-110(186)89(67(11)161)154-102(178)76(37-28-50-131-115(127)128)141-90(166)59(3)134-93(169)68(120)43-53-190-15/h58-81,86-89,157-161H,16-57,116-120H2,1-15H3,(H39-,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,188,189)/p+1/t59-,60-,61-,62-,63-,64+,65+,66+,67+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,86-,87-,88-,89-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | 8.5 | 23 |
University of Toronto
| Assay Description
In this assay [3H]AdoMet (PerkinElmer Life Sciences; catalog number NET155V250UC)was used as a methyl donor to methylate biotinylated histone peptide... |
J Biol Chem 289: 12177-88 (2014)
Article DOI: 10.1074/jbc.M113.523183
BindingDB Entry DOI: 10.7270/Q2SQ8Z86 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase PRDM9 [195-385]
(Homo sapiens (Human)) | BDBM228651
(H3 (21-44) K36me1 | LATKAARKSAPSTGGVKKPHRYRP)Show SMILES C[NH2+]CCCC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | 8.5 | 23 |
University of Toronto
| Assay Description
In this assay [3H]AdoMet (PerkinElmer Life Sciences; catalog number NET155V250UC)was used as a methyl donor to methylate biotinylated histone peptide... |
J Biol Chem 289: 12177-88 (2014)
Article DOI: 10.1074/jbc.M113.523183
BindingDB Entry DOI: 10.7270/Q2SQ8Z86 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase PRDM9 [195-385]
(Homo sapiens (Human)) | BDBM228647
(H3 (1-25) K4me1 | MARTKQTARKSTGGKAPRKQLATKA)Show SMILES C[NH2+]CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C113H207N41O33S/c1-56(2)52-77(102(178)134-59(5)90(166)150-86(64(10)158)107(183)146-68(29-15-20-43-115)93(169)137-61(7)110(186)187)148-99(175)75(37-39-80(119)160)143-94(170)69(30-16-21-44-116)141-97(173)73(34-25-48-129-112(123)124)145-104(180)79-36-27-50-154(79)109(185)60(6)136-92(168)67(28-14-19-42-114)138-83(163)54-131-82(162)53-132-105(181)84(62(8)156)151-103(179)78(55-155)149-98(174)70(31-17-22-45-117)142-96(172)72(33-24-47-128-111(121)122)139-89(165)58(4)135-106(182)85(63(9)157)152-101(177)76(38-40-81(120)161)144-95(171)71(32-18-23-46-127-12)147-108(184)87(65(11)159)153-100(176)74(35-26-49-130-113(125)126)140-88(164)57(3)133-91(167)66(118)41-51-188-13/h56-79,84-87,127,155-159H,14-55,114-118H2,1-13H3,(H2,119,160)(H2,120,161)(H,131,162)(H,132,181)(H,133,167)(H,134,178)(H,135,182)(H,136,168)(H,137,169)(H,138,163)(H,139,165)(H,140,164)(H,141,173)(H,142,172)(H,143,170)(H,144,171)(H,145,180)(H,146,183)(H,147,184)(H,148,175)(H,149,174)(H,150,166)(H,151,179)(H,152,177)(H,153,176)(H,186,187)(H4,121,122,128)(H4,123,124,129)(H4,125,126,130)/p+1/t57-,58-,59-,60-,61-,62+,63+,64+,65+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-,85-,86-,87-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | 8.5 | 23 |
University of Toronto
| Assay Description
In this assay [3H]AdoMet (PerkinElmer Life Sciences; catalog number NET155V250UC)was used as a methyl donor to methylate biotinylated histone peptide... |
J Biol Chem 289: 12177-88 (2014)
Article DOI: 10.1074/jbc.M113.523183
BindingDB Entry DOI: 10.7270/Q2SQ8Z86 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase PRDM9 [195-385]
(Homo sapiens (Human)) | BDBM228650
(H3 (21-44) K36me0 | LATKAARKSAPSTGGVKKPHRYRP)Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.60E+3 | n/a | n/a | n/a | 8.5 | 23 |
University of Toronto
| Assay Description
In this assay [3H]AdoMet (PerkinElmer Life Sciences; catalog number NET155V250UC)was used as a methyl donor to methylate biotinylated histone peptide... |
J Biol Chem 289: 12177-88 (2014)
Article DOI: 10.1074/jbc.M113.523183
BindingDB Entry DOI: 10.7270/Q2SQ8Z86 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase PRDM9 [195-385]
(Homo sapiens (Human)) | BDBM228653
(H3 (21-44) K36me3 | LATKAARKSAPSTGGVKKPHRYRP)Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 9.60E+3 | n/a | n/a | n/a | 8.5 | 23 |
University of Toronto
| Assay Description
In this assay [3H]AdoMet (PerkinElmer Life Sciences; catalog number NET155V250UC)was used as a methyl donor to methylate biotinylated histone peptide... |
J Biol Chem 289: 12177-88 (2014)
Article DOI: 10.1074/jbc.M113.523183
BindingDB Entry DOI: 10.7270/Q2SQ8Z86 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase PRDM9 [195-385]
(Homo sapiens (Human)) | BDBM228652
(H3 (21-44) K36me2 | LATKAARKSAPSTGGVKKPHRYRP)Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCC[NH+](C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | 8.5 | 23 |
University of Toronto
| Assay Description
In this assay [3H]AdoMet (PerkinElmer Life Sciences; catalog number NET155V250UC)was used as a methyl donor to methylate biotinylated histone peptide... |
J Biol Chem 289: 12177-88 (2014)
Article DOI: 10.1074/jbc.M113.523183
BindingDB Entry DOI: 10.7270/Q2SQ8Z86 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase PRDM9 [195-385]
(Homo sapiens (Human)) | BDBM228646
(H3 (1-25) K4me0 | MARTKQTARKSTGGKAPRKQLATKA)Show SMILES CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C112H205N41O33S/c1-55(2)51-76(101(177)133-58(5)89(165)149-85(63(10)157)106(182)145-67(28-14-19-42-114)92(168)136-60(7)109(185)186)147-98(174)74(36-38-79(119)159)142-93(169)68(29-15-20-43-115)140-96(172)72(33-24-47-128-111(123)124)144-103(179)78-35-26-49-153(78)108(184)59(6)135-91(167)66(27-13-18-41-113)137-82(162)53-130-81(161)52-131-104(180)83(61(8)155)150-102(178)77(54-154)148-97(173)69(30-16-21-44-116)141-95(171)71(32-23-46-127-110(121)122)138-88(164)57(4)134-105(181)84(62(9)156)151-100(176)75(37-39-80(120)160)143-94(170)70(31-17-22-45-117)146-107(183)86(64(11)158)152-99(175)73(34-25-48-129-112(125)126)139-87(163)56(3)132-90(166)65(118)40-50-187-12/h55-78,83-86,154-158H,13-54,113-118H2,1-12H3,(H2,119,159)(H2,120,160)(H,130,161)(H,131,180)(H,132,166)(H,133,177)(H,134,181)(H,135,167)(H,136,168)(H,137,162)(H,138,164)(H,139,163)(H,140,172)(H,141,171)(H,142,169)(H,143,170)(H,144,179)(H,145,182)(H,146,183)(H,147,174)(H,148,173)(H,149,165)(H,150,178)(H,151,176)(H,152,175)(H,185,186)(H4,121,122,127)(H4,123,124,128)(H4,125,126,129)/t56-,57-,58-,59-,60-,61+,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,83-,84-,85-,86-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | 8.5 | 23 |
University of Toronto
| Assay Description
In this assay [3H]AdoMet (PerkinElmer Life Sciences; catalog number NET155V250UC)was used as a methyl donor to methylate biotinylated histone peptide... |
J Biol Chem 289: 12177-88 (2014)
Article DOI: 10.1074/jbc.M113.523183
BindingDB Entry DOI: 10.7270/Q2SQ8Z86 |
More data for this
Ligand-Target Pair | |
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