Found 151 hits with Last Name = 'gomez' and Initial = 'rp' 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 |
|---|
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50079961
((S)-2-[2-({(S)-3-Methyl-2-[2-(3-naphthalen-2-ylmet...)Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1 Show InChI InChI=1S/C40H47N5O4S/c1-4-28(2)37(43-38(46)21-34-22-41-27-45(34)23-29-16-17-30-10-5-6-12-32(30)20-29)25-44(26-39(47)42-36(40(48)49)18-19-50-3)24-33-14-9-13-31-11-7-8-15-35(31)33/h5-17,20,22,27-28,36-37H,4,18-19,21,23-26H2,1-3H3,(H,42,47)(H,43,46)(H,48,49)/t28?,36-,37+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50079974
((S)-2-[2-({(S)-3-Methyl-2-[2-(3-naphthalen-1-ylmet...)Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1cccc2ccccc12 Show InChI InChI=1S/C40H47N5O4S/c1-4-28(2)37(43-38(46)21-33-22-41-27-45(33)24-32-16-10-14-30-12-6-8-18-35(30)32)25-44(26-39(47)42-36(40(48)49)19-20-50-3)23-31-15-9-13-29-11-5-7-17-34(29)31/h5-18,22,27-28,36-37H,4,19-21,23-26H2,1-3H3,(H,42,47)(H,43,46)(H,48,49)/t28?,36-,37+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50369443
(CHEMBL252953)Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C37H44N6O4S/c1-4-26(2)34(41-35(44)18-31-20-39-25-43(31)21-28-14-12-27(19-38)13-15-28)23-42(24-36(45)40-33(37(46)47)16-17-48-3)22-30-10-7-9-29-8-5-6-11-32(29)30/h5-15,20,25-26,33-34H,4,16-18,21-24H2,1-3H3,(H,40,45)(H,41,44)(H,46,47)/t26-,33+,34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50079956
((S)-2-[2-({(S)-2-[2-(3-Benzyl-3H-imidazol-4-yl)-ac...)Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccccc1 Show InChI InChI=1S/C36H45N5O4S/c1-4-26(2)33(39-34(42)19-30-20-37-25-41(30)21-27-11-6-5-7-12-27)23-40(24-35(43)38-32(36(44)45)17-18-46-3)22-29-15-10-14-28-13-8-9-16-31(28)29/h5-16,20,25-26,32-33H,4,17-19,21-24H2,1-3H3,(H,38,43)(H,39,42)(H,44,45)/t26?,32-,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50079966
((S)-2-{2-[((S)-3-Methyl-2-{2-[3-(4-nitro-benzyl)-3...)Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C36H44N6O6S/c1-4-25(2)33(39-34(43)18-30-19-37-24-41(30)20-26-12-14-29(15-13-26)42(47)48)22-40(23-35(44)38-32(36(45)46)16-17-49-3)21-28-10-7-9-27-8-5-6-11-31(27)28/h5-15,19,24-25,32-33H,4,16-18,20-23H2,1-3H3,(H,38,44)(H,39,43)(H,45,46)/t25?,32-,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50079978
((S)-2-{2-[((S)-2-{2-[3-((E)-3,7-Dimethyl-octa-2,6-...)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@@H](-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)-[#6]-c1cccc2ccccc12)-[#7]-[#6](=O)-[#6]-c1cncn1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C39H55N5O4S/c1-7-30(5)36(42-37(45)22-33-23-40-27-44(33)20-18-29(4)13-10-12-28(2)3)25-43(26-38(46)41-35(39(47)48)19-21-49-6)24-32-16-11-15-31-14-8-9-17-34(31)32/h8-9,11-12,14-18,23,27,30,35-36H,7,10,13,19-22,24-26H2,1-6H3,(H,41,46)(H,42,45)(H,47,48)/b29-18+/t30?,35-,36+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50079971
((S)-2-{2-[((S)-2-{2-[3-(4-Fluoro-benzyl)-3H-imidaz...)Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(F)cc1 Show InChI InChI=1S/C36H44FN5O4S/c1-4-25(2)33(40-34(43)18-30-19-38-24-42(30)20-26-12-14-29(37)15-13-26)22-41(23-35(44)39-32(36(45)46)16-17-47-3)21-28-10-7-9-27-8-5-6-11-31(27)28/h5-15,19,24-25,32-33H,4,16-18,20-23H2,1-3H3,(H,39,44)(H,40,43)(H,45,46)/t25?,32-,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50079968
((S)-2-{2-[((S)-2-{2-[3-(4-Methoxy-benzyl)-3H-imida...)Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(OC)cc1 Show InChI InChI=1S/C37H47N5O5S/c1-5-26(2)34(40-35(43)19-30-20-38-25-42(30)21-27-13-15-31(47-3)16-14-27)23-41(24-36(44)39-33(37(45)46)17-18-48-4)22-29-11-8-10-28-9-6-7-12-32(28)29/h6-16,20,25-26,33-34H,5,17-19,21-24H2,1-4H3,(H,39,44)(H,40,43)(H,45,46)/t26?,33-,34+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50079962
((S)-2-[2-({(S)-3-Methyl-2-[2-(3-pyridin-4-ylmethyl...)Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccncc1 Show InChI InChI=1S/C35H44N6O4S/c1-4-25(2)32(39-33(42)18-29-19-37-24-41(29)20-26-12-15-36-16-13-26)22-40(23-34(43)38-31(35(44)45)14-17-46-3)21-28-10-7-9-27-8-5-6-11-30(27)28/h5-13,15-16,19,24-25,31-32H,4,14,17-18,20-23H2,1-3H3,(H,38,43)(H,39,42)(H,44,45)/t25?,31-,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50079963
((S)-4-Methylsulfanyl-2-{2-[((S)-3-methyl-2-{2-[3-(...)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@@H](-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)-[#6]-c1cccc2ccccc12)-[#7]-[#6](=O)-[#6]-c1cncn1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C45H65N5O4S/c1-8-36(6)42(48-43(51)27-39-28-46-32-50(39)25-23-35(5)17-10-9-16-34(4)18-13-15-33(2)3)30-49(31-44(52)47-41(45(53)54)24-26-55-7)29-38-21-14-20-37-19-11-12-22-40(37)38/h11-12,14-16,19-23,28,32,36,41-42H,8-10,13,17-18,24-27,29-31H2,1-7H3,(H,47,52)(H,48,51)(H,53,54)/b34-16+,35-23+/t36?,41-,42+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50079964
((S)-2-[2-({(S)-3-Methyl-2-[2-(3-quinolin-2-ylmethy...)Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1 Show InChI InChI=1S/C39H46N6O4S/c1-4-27(2)36(43-37(46)20-32-21-40-26-45(32)23-31-17-16-29-11-6-8-15-34(29)41-31)24-44(25-38(47)42-35(39(48)49)18-19-50-3)22-30-13-9-12-28-10-5-7-14-33(28)30/h5-17,21,26-27,35-36H,4,18-20,22-25H2,1-3H3,(H,42,47)(H,43,46)(H,48,49)/t27?,35-,36+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50184680
(CHEMBL210234 | N-(4-fluorobenzyl)-8-hydroxy-5-(N-m...)Show SMILES CN(C(=O)C(=O)N1CCCCC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C24H24FN5O4/c1-29(23(33)24(34)30-12-3-2-4-13-30)21-17-6-5-11-26-18(17)20(31)19(28-21)22(32)27-14-15-7-9-16(25)10-8-15/h5-11,31H,2-4,12-14H2,1H3,(H,27,32) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of strand transfer process of HIV1 integrase |
Bioorg Med Chem Lett 16: 2900-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.003
BindingDB Entry DOI: 10.7270/Q2T43SP2 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50184681
(CHEMBL379658 | N-(4-fluorobenzyl)-5-(4-ethyl-2,3-d...)Show SMILES CCN1CCN(C(=O)C1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C22H20FN5O4/c1-2-27-10-11-28(22(32)21(27)31)19-15-4-3-9-24-16(15)18(29)17(26-19)20(30)25-12-13-5-7-14(23)8-6-13/h3-9,29H,2,10-12H2,1H3,(H,25,30) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of strand transfer process of HIV1 integrase |
Bioorg Med Chem Lett 16: 2900-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.003
BindingDB Entry DOI: 10.7270/Q2T43SP2 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50079965
((S)-2-{2-[((S)-3-Methyl-2-{2-[1-(4-nitro-benzyl)-1...)Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cn(Cc2ccc(cc2)[N+]([O-])=O)cn1 Show InChI InChI=1S/C36H44N6O6S/c1-4-25(2)33(39-34(43)18-29-21-41(24-37-29)19-26-12-14-30(15-13-26)42(47)48)22-40(23-35(44)38-32(36(45)46)16-17-49-3)20-28-10-7-9-27-8-5-6-11-31(27)28/h5-15,21,24-25,32-33H,4,16-20,22-23H2,1-3H3,(H,38,44)(H,39,43)(H,45,46)/t25?,32-,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Tested for Beta Adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized... |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50079975
((S)-2-{2-[((S)-2-{2-[3-(4-Cyano-benzyl)-3H-imidazo...)Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(N)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C37H45N7O3S/c1-4-26(2)34(42-35(45)18-31-20-40-25-44(31)21-28-14-12-27(19-38)13-15-28)23-43(24-36(46)41-33(37(39)47)16-17-48-3)22-30-10-7-9-29-8-5-6-11-32(29)30/h5-15,20,25-26,33-34H,4,16-18,21-24H2,1-3H3,(H2,39,47)(H,41,46)(H,42,45)/t26?,33-,34+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50184677
(CHEMBL378029 | N-(4-fluorobenzyl)-8-hydroxy-5-(N-m...)Show SMILES CNC(=O)C(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C20H18FN5O4/c1-22-19(29)20(30)26(2)17-13-4-3-9-23-14(13)16(27)15(25-17)18(28)24-10-11-5-7-12(21)8-6-11/h3-9,27H,10H2,1-2H3,(H,22,29)(H,24,28) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of strand transfer process of HIV1 integrase |
Bioorg Med Chem Lett 16: 2900-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.003
BindingDB Entry DOI: 10.7270/Q2T43SP2 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Canis familiaris) | BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Tested for Beta-2 adrenergic receptor selectivity in canine lung tissue in anesthetized dogs |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Tested for Beta-1 adrenergic receptor selectivity in canine cardiac tissue in anesthetized dogs |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50184687
(CHEMBL210233 | N-(4-fluorobenzyl)-5-(2-amino-N-met...)Show SMILES CN(C(=O)C(N)=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C19H16FN5O4/c1-25(19(29)16(21)27)17-12-3-2-8-22-13(12)15(26)14(24-17)18(28)23-9-10-4-6-11(20)7-5-10/h2-8,26H,9H2,1H3,(H2,21,27)(H,23,28) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of strand transfer process of HIV1 integrase |
Bioorg Med Chem Lett 16: 2900-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.003
BindingDB Entry DOI: 10.7270/Q2T43SP2 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50184682
(CHEMBL377759 | N-(4-fluorobenzyl)-8-hydroxy-5-(N-m...)Show SMILES CN(C(C)=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C19H17FN4O3/c1-11(25)24(2)18-14-4-3-9-21-15(14)17(26)16(23-18)19(27)22-10-12-5-7-13(20)8-6-12/h3-9,26H,10H2,1-2H3,(H,22,27) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of strand transfer process of HIV1 integrase |
Bioorg Med Chem Lett 16: 2900-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.003
BindingDB Entry DOI: 10.7270/Q2T43SP2 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50184685
(CHEMBL209872 | N-(4-fluorobenzyl)-5-(4-acetylpiper...)Show SMILES CC(=O)N1CCN(CC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C22H22FN5O3/c1-14(29)27-9-11-28(12-10-27)21-17-3-2-8-24-18(17)20(30)19(26-21)22(31)25-13-15-4-6-16(23)7-5-15/h2-8,30H,9-13H2,1H3,(H,25,31) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of strand transfer process of HIV1 integrase |
Bioorg Med Chem Lett 16: 2900-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.003
BindingDB Entry DOI: 10.7270/Q2T43SP2 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM28236
(CHEMBL199145 | N-[(4-fluorophenyl)methyl]-8-hydrox...)Show InChI InChI=1S/C16H12FN3O2/c17-12-5-3-10(4-6-12)8-20-16(22)14-15(21)13-11(9-19-14)2-1-7-18-13/h1-7,9,21H,8H2,(H,20,22) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of strand transfer process of HIV1 integrase |
Bioorg Med Chem Lett 16: 2900-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.003
BindingDB Entry DOI: 10.7270/Q2T43SP2 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50010834
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)Show InChI InChI=1S/C20H23N3O3/c24-18(15-26-19-4-2-1-3-5-19)14-21-11-13-25-20-8-6-17(7-9-20)23-12-10-22-16-23/h1-10,12,16,18,21,24H,11,13-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Tested for beta1-receptor selectivity in canine cardiac tissue in anesthetized dogs |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50184686
(CHEMBL426686 | N-(7-{[(4-fluorobenzyl)amino]carbon...)Show SMILES CN(C)C(=O)C(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C21H20FN5O4/c1-26(2)20(30)21(31)27(3)18-14-5-4-10-23-15(14)17(28)16(25-18)19(29)24-11-12-6-8-13(22)9-7-12/h4-10,28H,11H2,1-3H3,(H,24,29) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of strand transfer process of HIV1 integrase |
Bioorg Med Chem Lett 16: 2900-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.003
BindingDB Entry DOI: 10.7270/Q2T43SP2 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50184679
(CHEMBL209307 | N-(4-fluorobenzyl)-8-hydroxy-5-(N-m...)Show SMILES CN(C(=O)C(=O)N1CCCC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C23H22FN5O4/c1-28(22(32)23(33)29-11-2-3-12-29)20-16-5-4-10-25-17(16)19(30)18(27-20)21(31)26-13-14-6-8-15(24)9-7-14/h4-10,30H,2-3,11-13H2,1H3,(H,26,31) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of strand transfer process of HIV1 integrase |
Bioorg Med Chem Lett 16: 2900-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.003
BindingDB Entry DOI: 10.7270/Q2T43SP2 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50184683
(CHEMBL441683 | N-(4-fluorobenzyl)-8-hydroxy-5-(4-m...)Show SMILES CN1CCN(CC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C21H22FN5O2/c1-26-9-11-27(12-10-26)20-16-3-2-8-23-17(16)19(28)18(25-20)21(29)24-13-14-4-6-15(22)7-5-14/h2-8,28H,9-13H2,1H3,(H,24,29) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of strand transfer process of HIV1 integrase |
Bioorg Med Chem Lett 16: 2900-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.003
BindingDB Entry DOI: 10.7270/Q2T43SP2 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50010834
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)Show InChI InChI=1S/C20H23N3O3/c24-18(15-26-19-4-2-1-3-5-19)14-21-11-13-25-20-8-6-17(7-9-20)23-12-10-22-16-23/h1-10,12,16,18,21,24H,11,13-15H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Tested for beta-receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized dogs |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50184684
(CHEMBL208776 | N-(4-fluorobenzyl)-5-((2-(dimethyla...)Show SMILES CN(C)C(=O)CN(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C21H22FN5O3/c1-26(2)16(28)12-27(3)20-15-5-4-10-23-17(15)19(29)18(25-20)21(30)24-11-13-6-8-14(22)9-7-13/h4-10,29H,11-12H2,1-3H3,(H,24,30) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of strand transfer process of HIV1 integrase |
Bioorg Med Chem Lett 16: 2900-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.003
BindingDB Entry DOI: 10.7270/Q2T43SP2 |
More data for this
Ligand-Target Pair | |
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha
(Bos taurus (bovine)) | BDBM50369443
(CHEMBL252953)Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C37H44N6O4S/c1-4-26(2)34(41-35(44)18-31-20-39-25-43(31)21-28-14-12-27(19-38)13-15-28)23-42(24-36(45)40-33(37(46)47)16-17-48-3)22-30-10-7-9-29-8-5-6-11-32(29)30/h5-15,20,25-26,33-34H,4,16-18,21-24H2,1-3H3,(H,40,45)(H,41,44)(H,46,47)/t26-,33+,34-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]GGPP incorporation into recombinant human Ha-RasCVLL by Geranylgeranyl transferase from bovine brain |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50079976
((S)-2-(2-(((2S,3R)-3-methyl-2-(2-(1-(pyridin-4-ylm...)Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cn(Cc2ccncc2)cn1 Show InChI InChI=1S/C35H44N6O4S/c1-4-25(2)32(39-33(42)18-29-21-41(24-37-29)19-26-12-15-36-16-13-26)22-40(23-34(43)38-31(35(44)45)14-17-46-3)20-28-10-7-9-27-8-5-6-11-30(27)28/h5-13,15-16,21,24-25,31-32H,4,14,17-20,22-23H2,1-3H3,(H,38,43)(H,39,42)(H,44,45)/t25?,31-,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50079979
((S)-2-[2-({(S)-2-[2-(1-Benzyl-1H-imidazol-4-yl)-ac...)Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cn(Cc2ccccc2)cn1 Show InChI InChI=1S/C36H45N5O4S/c1-4-26(2)33(39-34(42)19-30-22-41(25-37-30)20-27-11-6-5-7-12-27)23-40(24-35(43)38-32(36(44)45)17-18-46-3)21-29-15-10-14-28-13-8-9-16-31(28)29/h5-16,22,25-26,32-33H,4,17-21,23-24H2,1-3H3,(H,38,43)(H,39,42)(H,44,45)/t26?,32-,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50010840
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)Show InChI InChI=1S/C21H25N3O3/c1-17-3-2-4-21(13-17)27-15-19(25)14-22-10-12-26-20-7-5-18(6-8-20)24-11-9-23-16-24/h2-9,11,13,16,19,22,25H,10,12,14-15H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Tested for beta-receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized dogs |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
More data for this
Ligand-Target Pair | |
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha
(Bos taurus (bovine)) | BDBM50079966
((S)-2-{2-[((S)-3-Methyl-2-{2-[3-(4-nitro-benzyl)-3...)Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C36H44N6O6S/c1-4-25(2)33(39-34(43)18-30-19-37-24-41(30)20-26-12-14-29(15-13-26)42(47)48)22-40(23-35(44)38-32(36(45)46)16-17-49-3)21-28-10-7-9-27-8-5-6-11-31(27)28/h5-15,19,24-25,32-33H,4,16-18,20-23H2,1-3H3,(H,38,44)(H,39,43)(H,45,46)/t25?,32-,33+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]GGPP incorporation into recombinant human Ha-RasCVLL by Geranylgeranyl transferase from bovine brain |
J Med Chem 42: 3356-68 (1999)
Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50228546
(CHEMBL95784)Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(=O)NCCNCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C23H27N3O5S/c1-32(29,30)26-19-11-9-18(10-12-19)23(28)25-14-13-24-15-20(27)16-31-22-8-4-6-17-5-2-3-7-21(17)22/h2-12,20,24,26-27H,13-16H2,1H3,(H,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized... |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50184678
(CHEMBL379132 | N-(4-fluorobenzyl)-8-hydroxy-5-(met...)Show SMILES CN(CCN(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12)C(C)=O Show InChI InChI=1S/C22H24FN5O3/c1-14(29)27(2)11-12-28(3)21-17-5-4-10-24-18(17)20(30)19(26-21)22(31)25-13-15-6-8-16(23)9-7-15/h4-10,30H,11-13H2,1-3H3,(H,25,31) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 156 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of strand transfer process of HIV1 integrase |
Bioorg Med Chem Lett 16: 2900-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.003
BindingDB Entry DOI: 10.7270/Q2T43SP2 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50001912
(4-Methanesulfonylamino-N-(4-phenyl-piperazin-2-ylm...)Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(=O)NCC1CN(CCN1)c1ccccc1 Show InChI InChI=1S/C19H24N4O3S/c1-27(25,26)22-16-9-7-15(8-10-16)19(24)21-13-17-14-23(12-11-20-17)18-5-3-2-4-6-18/h2-10,17,20,22H,11-14H2,1H3,(H,21,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Beta-1 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine ventricular... |
J Med Chem 35: 743-50 (1992)
BindingDB Entry DOI: 10.7270/Q2319TT0 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50001906
(4-Methanesulfonylamino-N-[4-(2-methoxy-phenyl)-pip...)Show SMILES COc1ccccc1N1CCNC(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)C1 Show InChI InChI=1S/C20H26N4O4S/c1-28-19-6-4-3-5-18(19)24-12-11-21-17(14-24)13-22-20(25)15-7-9-16(10-8-15)23-29(2,26)27/h3-10,17,21,23H,11-14H2,1-2H3,(H,22,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Beta-1 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine ventricular... |
J Med Chem 35: 743-50 (1992)
BindingDB Entry DOI: 10.7270/Q2319TT0 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50010840
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)Show InChI InChI=1S/C21H25N3O3/c1-17-3-2-4-21(13-17)27-15-19(25)14-22-10-12-26-20-7-5-18(6-8-20)24-11-9-23-16-24/h2-9,11,13,16,19,22,25H,10,12,14-15H2,1H3 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Tested for beta1-receptor selectivity in canine cardiac tissue in anesthetized dogs |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50010837
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)Show SMILES COCCc1ccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)cc1 Show InChI InChI=1S/C23H29N3O4/c1-28-14-10-19-2-6-23(7-3-19)30-17-21(27)16-24-12-15-29-22-8-4-20(5-9-22)26-13-11-25-18-26/h2-9,11,13,18,21,24,27H,10,12,14-17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Tested for beta-receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized dogs |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50010837
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)Show SMILES COCCc1ccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)cc1 Show InChI InChI=1S/C23H29N3O4/c1-28-14-10-19-2-6-23(7-3-19)30-17-21(27)16-24-12-15-29-22-8-4-20(5-9-22)26-13-11-25-18-26/h2-9,11,13,18,21,24,27H,10,12,14-17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Tested for beta1-receptor selectivity in canine cardiac tissue in anesthetized dogs |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Canis familiaris) | BDBM50010834
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)Show InChI InChI=1S/C20H23N3O3/c24-18(15-26-19-4-2-1-3-5-19)14-21-11-13-25-20-8-6-17(7-9-20)23-12-10-22-16-23/h1-10,12,16,18,21,24H,11,13-15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Beta2-receptor selectivity in canine lung tissue in anesthetized dogs |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50228557
(CHEMBL99718)Show SMILES OC(CNCCOc1ccc(cc1)-n1ccnc1)CONC(C1CC1)C1CC1 Show InChI InChI=1S/C21H30N4O3/c26-19(14-28-24-21(16-1-2-16)17-3-4-17)13-22-10-12-27-20-7-5-18(6-8-20)25-11-9-23-15-25/h5-9,11,15-17,19,21-22,24,26H,1-4,10,12-14H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Tested for beta-receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized dogs |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50228540
(CHEMBL317163)Show SMILES OC(CNCCNC(=O)c1ccc(cc1)-n1ccnc1)COc1cccc2ccccc12 Show InChI InChI=1S/C25H26N4O3/c30-22(17-32-24-7-3-5-19-4-1-2-6-23(19)24)16-26-12-13-28-25(31)20-8-10-21(11-9-20)29-15-14-27-18-29/h1-11,14-15,18,22,26,30H,12-13,16-17H2,(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized... |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Canis familiaris) | BDBM50010840
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)Show InChI InChI=1S/C21H25N3O3/c1-17-3-2-4-21(13-17)27-15-19(25)14-22-10-12-26-20-7-5-18(6-8-20)24-11-9-23-16-24/h2-9,11,13,16,19,22,25H,10,12,14-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Beta2-receptor selectivity in canine lung tissue in anesthetized dogs |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50001907
(4-Imidazol-1-yl-N-(4-phenyl-piperazin-2-ylmethyl)-...)Show SMILES O=C(NCC1CN(CCN1)c1ccccc1)c1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C21H23N5O/c27-21(17-6-8-20(9-7-17)26-12-10-22-16-26)24-14-18-15-25(13-11-23-18)19-4-2-1-3-5-19/h1-10,12,16,18,23H,11,13-15H2,(H,24,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Beta-1 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine ventricular... |
J Med Chem 35: 743-50 (1992)
BindingDB Entry DOI: 10.7270/Q2319TT0 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Canis familiaris) | BDBM50001906
(4-Methanesulfonylamino-N-[4-(2-methoxy-phenyl)-pip...)Show SMILES COc1ccccc1N1CCNC(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)C1 Show InChI InChI=1S/C20H26N4O4S/c1-28-19-6-4-3-5-18(19)24-12-11-21-17(14-24)13-22-20(25)15-7-9-16(10-8-15)23-29(2,26)27/h3-10,17,21,23H,11-14H2,1-2H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine lung ti... |
J Med Chem 35: 743-50 (1992)
BindingDB Entry DOI: 10.7270/Q2319TT0 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50001896
(CHEMBL165901 | N-(4-Phenyl-piperazin-2-ylmethyl)-b...)Show InChI InChI=1S/C18H21N3O/c22-18(15-7-3-1-4-8-15)20-13-16-14-21(12-11-19-16)17-9-5-2-6-10-17/h1-10,16,19H,11-14H2,(H,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for Beta-1 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine ventricular... |
J Med Chem 35: 743-50 (1992)
BindingDB Entry DOI: 10.7270/Q2319TT0 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50010841
(1-(4-Imidazol-1-yl-benzylamino)-3-o-tolyloxy-propa...)Show InChI InChI=1S/C20H23N3O2/c1-16-4-2-3-5-20(16)25-14-19(24)13-22-12-17-6-8-18(9-7-17)23-11-10-21-15-23/h2-11,15,19,22,24H,12-14H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized... |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50010841
(1-(4-Imidazol-1-yl-benzylamino)-3-o-tolyloxy-propa...)Show InChI InChI=1S/C20H23N3O2/c1-16-4-2-3-5-20(16)25-14-19(24)13-22-12-17-6-8-18(9-7-17)23-11-10-21-15-23/h2-11,15,19,22,24H,12-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Tested for Beta-1 adrenergic receptor selectivity in canine cardiac tissue in anesthetized dogs |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
More data for this
Ligand-Target Pair | |
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