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Compile Data Set for Download or QSAR

Found 121 hits Enz. Inhib. hit(s) with all data for entry = 11667   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502491
PNG
(CHEMBL4443354 | US11834430, Compound 41)
Show SMILES C[C@H](COc1cccc(c1)-n1ccnc1C1CC1)Oc1ccc(cc1F)C#N |r|
Show InChI InChI=1S/C22H20FN3O2/c1-15(28-21-8-5-16(13-24)11-20(21)23)14-27-19-4-2-3-18(12-19)26-10-9-25-22(26)17-6-7-17/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-/m1/s1
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637711
PNG
(3-methoxy-4-((1-(3- (2-methyl-1H- imidazol-1- yl)p...)
Show SMILES COc1cc(ccc1OC(C)COc1cccc(c1)-n1ccnc1C)C#N
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502494
PNG
(CHEMBL4446351 | US11834430, Compound 9)
Show SMILES Clc1cc(ccc1OCCOc1cccc(c1)-n1ccnc1C1CC1)C#N
Show InChI InChI=1S/C21H18ClN3O2/c22-19-12-15(14-23)4-7-20(19)27-11-10-26-18-3-1-2-17(13-18)25-9-8-24-21(25)16-5-6-16/h1-4,7-9,12-13,16H,5-6,10-11H2
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637738
PNG
((S)-3-chloro-4-((1- (3-(2-methyl-1H- imidazol-1- y...)
Show SMILES C[C@@H](COc1cccc(c1)-n1ccnc1C)Oc1ccc(cc1Cl)C#N |r|
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502488
PNG
(CHEMBL4449942 | US11834430, Compound 62)
Show SMILES N#Cc1ccc(OCCOc2cccc(c2)-n2ccnc2C2CC2)cc1
Show InChI InChI=1S/C21H19N3O2/c22-15-16-4-8-19(9-5-16)25-12-13-26-20-3-1-2-18(14-20)24-11-10-23-21(24)17-6-7-17/h1-5,8-11,14,17H,6-7,12-13H2
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502492
PNG
(CHEMBL4446048 | US11834430, Compound 8)
Show SMILES COc1cc(ccc1OCCOc1cccc(c1)-n1ccnc1C)C#N
Show InChI InChI=1S/C20H19N3O3/c1-15-22-8-9-23(15)17-4-3-5-18(13-17)25-10-11-26-19-7-6-16(14-21)12-20(19)24-2/h3-9,12-13H,10-11H2,1-2H3
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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637731
PNG
((S)-4-((1-(3-(2- cyclopropyl-1H- imidazol-1- yl)ph...)
Show SMILES C[C@@H](COc1cccc(c1)-n1ccnc1C1CC1)Oc1ccc(cc1C)C#N |r|
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637758
PNG
(4-(2-((2-(2- cyclopropyl-1H- imidazol-1- yl)pyridi...)
Show SMILES Fc1cc(ccc1OCCOc1ccnc(c1)-n1ccnc1C1CC1)C#N
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637735
PNG
(3-fluoro-4-(2-((2-(2- methyl-1H- imidazol-1- yl)py...)
Show SMILES Cc1nccn1-c1cc(OCCOc2ccc(cc2F)C#N)ccn1
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637730
PNG
((R)-3-methoxy-4- ((1-(3-(1-methyl- 1H-pyrazol-5- y...)
Show SMILES COc1cc(ccc1O[C@H](C)COc1cccc(c1)-c1ccnn1C)C#N |r|
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502489
PNG
(CHEMBL4583704 | US11834430, Compound 72)
Show SMILES COc1cc(ccc1O[C@@H](C)COc1cccc(c1)-n1ccnc1C)C#N |r|
Show InChI InChI=1S/C21H21N3O3/c1-15(27-20-8-7-17(13-22)11-21(20)25-3)14-26-19-6-4-5-18(12-19)24-10-9-23-16(24)2/h4-12,15H,14H2,1-3H3/t15-/m0/s1
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637719
PNG
(3-fluoro-4-((1-(3-(1- methyl-1H-pyrazol- 5- yl)phe...)
Show SMILES CC(COc1cccc(c1)-c1ccnn1C)Oc1ccc(cc1F)C#N
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637759
PNG
((R)-3-methoxy-4- ((1-(3-(2-methyl- 1H-imidazol-1- ...)
Show SMILES COc1cc(ccc1O[C@H](C)COc1cccc(c1)-n1ccnc1C)C#N |r|
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637742
PNG
((S)-3-methoxy-4- ((1-(3-(1-methyl- 1H-pyrazol-5- y...)
Show SMILES COc1cc(ccc1O[C@@H](C)COc1cccc(c1)-c1ccnn1C)C#N |r|
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637743
PNG
(4-((1-(3-(2- cyclopropyl-1H- imidazol-1- yl)phenox...)
Show SMILES CC(COc1cccc(c1)-n1ccnc1C1CC1)Oc1ccc(cc1C)C#N
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502493
PNG
(CHEMBL4558383 | US11834430, Compound 81)
Show SMILES COc1cc(ccc1O[C@@H](C)COc1cccc(c1)-n1ccnc1C1CC1)C#N |r|
Show InChI InChI=1S/C23H23N3O3/c1-16(29-21-9-6-17(14-24)12-22(21)27-2)15-28-20-5-3-4-19(13-20)26-11-10-25-23(26)18-7-8-18/h3-6,9-13,16,18H,7-8,15H2,1-2H3/t16-/m0/s1
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637706
PNG
(3-chloro-4-(2-((2-(2- methyl-1H- imidazol-1- yl)py...)
Show SMILES Cc1nccn1-c1cc(OCCOc2ccc(cc2Cl)C#N)ccn1
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637728
PNG
((R)-3-fluoro-4-((1- (3-(1-methyl-1H- pyrazol-5- yl...)
Show SMILES C[C@H](COc1cccc(c1)-c1ccnn1C)Oc1ccc(cc1F)C#N |r|
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502487
PNG
(CHEMBL4473893 | US11834430, Compound 15)
Show SMILES COc1cc(ccc1OCCOc1cccc(c1)-c1ccnn1C)C#N
Show InChI InChI=1S/C20H19N3O3/c1-23-18(8-9-22-23)16-4-3-5-17(13-16)25-10-11-26-19-7-6-15(14-21)12-20(19)24-2/h3-9,12-13H,10-11H2,1-2H3
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637713
PNG
(3-methoxy-4-((1-(3- (1-methyl-1H- pyrazol-5- yl)ph...)
Show SMILES COc1cc(ccc1OC(C)COc1cccc(c1)-c1ccnn1C)C#N
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637750
PNG
((R)-4-((1-(3-(2- cyclopropyl-1H- imidazol-1- yl)ph...)
Show SMILES C[C@H](COc1cccc(c1)N1C=CNC1C1CC1)Oc1ccc(cc1C)C#N |r,c:12|
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637715
PNG
((S)-3-chloro-4-(2- (3-(2-methyl-1H- imidazol-1- yl...)
Show SMILES C[C@@H](COc1ccc(cc1Cl)C#N)Oc1cccc(c1)-n1ccnc1C |r|
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637776
PNG
(4-(2-(3-fluoro-5-(1- methyl-1H-pyrazol- 5- yl)phen...)
Show SMILES Cn1nccc1-c1cc(F)cc(OCCOc2ccc(cc2)C#N)c1
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637710
PNG
(4-((1-(3-(2- cyclopropyl-1H- imidazol-1- yl)phenox...)
Show SMILES CC(COc1cccc(c1)-n1ccnc1C1CC1)Oc1ccc(cc1F)C#N
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637712
PNG
(3-methyl-4-((1-(3- (1-methyl-1H- pyrazol-5- yl)phe...)
Show SMILES CC(COc1cccc(c1)-c1ccnn1C)Oc1ccc(cc1C)C#N
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637786
PNG
(4-(2-(4-bromo-2- fluorophenoxy) ethoxy)-2-(2-methy...)
Show SMILES Cc1nccn1-c1cc(OCCOc2ccc(Br)cc2F)ccn1
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637782
PNG
(3-chloro-4-(2-((2-(1- methyl-1H-pyrazol- 5-yl)pyri...)
Show SMILES Cn1nccc1-c1cc(OCCOc2ccc(cc2Cl)C#N)ccn1
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637688
PNG
(3-fluoro-4-(2-(3-(2- methyl-1H- imidazol-1- yl)phe...)
Show SMILES Cc1nccn1-c1cccc(OCCOc2ccc(cc2F)C#N)c1
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637800
PNG
(3-chloro-4-(2-(3-(1- cyclopropyl-1H- pyrazol-5- yl...)
Show SMILES Clc1cc(ccc1OCCOc1cccc(c1)-c1ccnn1C1CC1)C#N
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637781
PNG
(5-chloro-2-(2-((2-(2- methyl-1H- imidazol-1- yl)py...)
Show SMILES Cc1nccn1-c1cc(OCCOc2ccc(Cl)cc2C#N)ccn1
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637771
PNG
(4-(2-((2-(2- cyclopropyl-1H- imidazol-1- yl)pyridi...)
Show SMILES N#Cc1ccc(OCCOc2ccnc(c2)-c2ccnn2C2CC2)cc1
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637751
PNG
(3-fluoro-4-(2-((2-(1- methyl-1H-pyrazol- 5-yl)pyri...)
Show SMILES Cn1nccc1-c1cc(OCCOc2ccc(cc2F)C#N)ccn1
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637689
PNG
(3-chloro-4-(2-(3-(1- methyl-1H-pyrazol- 5- yl)phen...)
Show SMILES Cn1nccc1-c1cccc(OCCOc2ccc(cc2Cl)C#N)c1
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502486
PNG
(CHEMBL4468997 | US11834430, Compound 5)
Show SMILES Cc1nccn1-c1cccc(OCCOc2ccc(cc2Cl)C#N)c1
Show InChI InChI=1S/C19H16ClN3O2/c1-14-22-7-8-23(14)16-3-2-4-17(12-16)24-9-10-25-19-6-5-15(13-21)11-18(19)20/h2-8,11-12H,9-10H2,1H3
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637700
PNG
(5-methyl-2-(2-(3-(1- methyl-1H-pyrazol- 5-yl)pheno...)
Show SMILES Cc1ccc(OCCOc2cccc(c2)-c2ccnn2C)c(c1)C#N
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637704
PNG
(3-chloro-4-(2-(3-(2- methyl-1H- imidazol-1- yl)phe...)
Show SMILES CC(COc1ccc(cc1Cl)C#N)Oc1cccc(c1)-n1ccnc1C
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637785
PNG
(4-(2-(4-chloro-2- fluorophenoxy) ethoxy)-2-(2-meth...)
Show SMILES Cc1nccn1-c1cc(OCCOc2ccc(Cl)cc2F)ccn1
KEGG

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n/an/a 3.10n/an/an/an/an/an/a


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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637734
PNG
(3-amino-4-(2-(3-(2- cyclopropyl-1H- imidazol-1- yl...)
Show SMILES Nc1cc(ccc1OCCOc1cccc(c1)-n1ccnc1C1CC1)C#N
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n/an/a 3.60n/an/an/an/an/an/a


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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637717
PNG
((S)-3-fluoro-4-(2-(3- (2-methyl-1H- imidazol-1- yl...)
Show SMILES C[C@@H](COc1ccc(cc1F)C#N)Oc1cccc(c1)-n1ccnc1C |r|
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637765
PNG
(6-(2-(3-(2- cyclopropyl-1H- imidazol-1- yl)phenoxy...)
Show SMILES Fc1cc(cnc1OCCOc1cccc(c1)-n1ccnc1C1CC1)C#N
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502489
PNG
(CHEMBL4583704 | US11834430, Compound 72)
Show SMILES COc1cc(ccc1O[C@@H](C)COc1cccc(c1)-n1ccnc1C)C#N |r|
Show InChI InChI=1S/C21H21N3O3/c1-15(27-20-8-7-17(13-22)11-21(20)25-3)14-26-19-6-4-5-18(12-19)24-10-9-23-16(24)2/h4-12,15H,14H2,1-3H3/t15-/m0/s1
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637701
PNG
(4-(2-(3-(2- cyclopropyl-1H- imidazol-1- yl)phenoxy...)
Show SMILES COc1cc(ccc1OCCOc1cccc(c1)-n1ccnc1C1CC1)C#N
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637721
PNG
((R)-3-methyl-4-((1- (3-(1-methyl-1H- pyrazol-5- yl...)
Show SMILES C[C@H](COc1cccc(c1)-c1ccnn1C)Oc1ccc(cc1C)C#N |r|
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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637787
PNG
(3-fluoro-4-(2-(3- fluoro-5-(1-methyl- 1H-pyrazol-5...)
Show SMILES Cn1nccc1-c1cc(F)cc(OCCOc2ccc(cc2F)C#N)c1
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n/an/a 6n/an/an/an/an/an/a


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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637775
PNG
(4-(2-(4-fluoro-3-(1- methyl-1H-pyrazol-5- yl)pheno...)
Show SMILES Cn1nccc1-c1cc(OCCOc2ccc(cc2)C#N)ccc1F
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n/an/a 6.60n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502490
PNG
(CHEMBL4464629 | US11834430, Compound 47)
Show SMILES C[C@@H](COc1cccc(c1)-c1ccnn1C)Oc1ccc(cc1F)C#N |r|
Show InChI InChI=1S/C20H18FN3O2/c1-14(26-20-7-6-15(12-22)10-18(20)21)13-25-17-5-3-4-16(11-17)19-8-9-23-24(19)2/h3-11,14H,13H2,1-2H3/t14-/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a


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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637698
PNG
(3-methoxy-4-(2-(3- (thiazol-5- yl)phenoxy)ethoxy) ...)
Show SMILES COc1cc(ccc1OCCOc1cccc(c1)-c1cncs1)C#N
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n/an/a 8n/an/an/an/an/an/a


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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50502488
PNG
(CHEMBL4449942 | US11834430, Compound 62)
Show SMILES N#Cc1ccc(OCCOc2cccc(c2)-n2ccnc2C2CC2)cc1
Show InChI InChI=1S/C21H19N3O2/c22-15-16-4-8-19(9-5-16)25-12-13-26-20-3-1-2-18(14-20)24-11-10-23-21(24)17-6-7-17/h1-5,8-11,14,17H,6-7,12-13H2
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n/an/a 8.5n/an/an/an/an/an/a


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Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637739
PNG
(4-(2-(3-(1-methyl- 1H-pyrazol-5- yl)phenoxy)ethoxy...)
Show SMILES Cn1nccc1-c1cccc(OCCOc2ccc(cc2)C#N)c1
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n/an/a 9n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM637798
PNG
(4-(2-(3-(1- cyclopropyl-1H- pyrazol-5- yl)phenoxy)...)
Show SMILES Fc1cc(ccc1OCCOc1cccc(c1)-c1ccnn1C1CC1)C#N
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n/an/a 9.5n/an/an/an/an/an/a


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Ligand-Target Pair
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