Found 320 hits with Last Name = 'riviello' and Initial = 'c' 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 |
|---|
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50299343
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1 | UniProtKB/SwissProt
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assay |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(RAT) | BDBM50299343
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1 | UniProtKB/SwissProt
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in CHO cells by whole cell binding assay |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50299343
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1 | PDB
Reactome pathway
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50299343
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1 | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor at 5 uM |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50299343
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1 | PDB
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| 325 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50033318
(Benzyl-(6-ethynyl-2-imidazol-1-yl-quinazolin-4-yl)...)Show InChI InChI=1S/C20H15N5/c1-2-15-8-9-18-17(12-15)19(22-13-16-6-4-3-5-7-16)24-20(23-18)25-11-10-21-14-25/h1,3-12,14H,13H2,(H,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Biofor Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets |
J Med Chem 38: 3547-57 (1995)
BindingDB Entry DOI: 10.7270/Q2F190CB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50311657
(1-(9-(8-fluorochroman-4-yl)-8-oxo-8,9-dihydro-7H-p...)Show SMILES Fc1cccc2[C@@H](CCOc12)n1c2nc(ncc2[nH]c1=O)-n1cnc2ccc(cc12)C#N |r| Show InChI InChI=1S/C22H14FN7O2/c23-14-3-1-2-13-17(6-7-32-19(13)14)30-20-16(27-22(30)31)10-25-21(28-20)29-11-26-15-5-4-12(9-24)8-18(15)29/h1-5,8,10-11,17H,6-7H2,(H,27,31)/t17-/m1/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay |
Bioorg Med Chem Lett 19: 6788-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.080
BindingDB Entry DOI: 10.7270/Q24B31G4 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V
(Homo sapiens (Human)) | BDBM50277112
(3-[1-Oxo-6-(1,2,3,4-tetrahydro-benzo[4,5]imidazo[1...)Show SMILES OC(=O)CC(N1CCc2cc(Oc3cccc4n5CCCNc5nc34)ccc2C1=O)c1cccnc1 Show InChI InChI=1S/C27H25N5O4/c33-24(34)15-22(18-4-2-10-28-16-18)31-13-9-17-14-19(7-8-20(17)26(31)35)36-23-6-1-5-21-25(23)30-27-29-11-3-12-32(21)27/h1-2,4-8,10,14,16,22H,3,9,11-13,15H2,(H,29,30)(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human integrin alphavbeta3 receptor by TRF assay |
Bioorg Med Chem Lett 19: 352-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.074
BindingDB Entry DOI: 10.7270/Q2N016C9 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50345056
(2-(6-(3-((dimethylamino)methyl)phenyl)-2-(4-fluoro...)Show SMILES COc1cc(ccc1F)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C29H31FN4O3/c1-18(2)31-27(35)17-34-28(22-9-11-24(30)26(15-22)37-5)32-25-12-10-21(14-23(25)29(34)36)20-8-6-7-19(13-20)16-33(3)4/h6-15,18H,16-17H2,1-5H3,(H,31,35) | UniProtKB/SwissProt
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole... |
Bioorg Med Chem Lett 21: 3813-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50345045
(CHEMBL1778950 | N-isopropyl-2-(2-(3-methoxyphenyl)...)Show SMILES COc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cccc(CN2CCCCC2)c1 Show InChI InChI=1S/C32H36N4O3/c1-22(2)33-30(37)21-36-31(26-11-8-12-27(18-26)39-3)34-29-14-13-25(19-28(29)32(36)38)24-10-7-9-23(17-24)20-35-15-5-4-6-16-35/h7-14,17-19,22H,4-6,15-16,20-21H2,1-3H3,(H,33,37) | UniProtKB/SwissProt
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole... |
Bioorg Med Chem Lett 21: 3813-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V
(Homo sapiens (Human)) | BDBM50277111
(3-Benzo[1,3]dioxol-5-yl-3-[1-oxo-6-(1,2,3,4-tetrah...)Show SMILES OC(=O)CC(N1CCc2cc(Oc3cccc4n5CCCNc5nc34)ccc2C1=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H26N4O6/c34-26(35)15-22(18-5-8-23-25(14-18)38-16-37-23)32-12-9-17-13-19(6-7-20(17)28(32)36)39-24-4-1-3-21-27(24)31-29-30-10-2-11-33(21)29/h1,3-8,13-14,22H,2,9-12,15-16H2,(H,30,31)(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
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| Article
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human integrin alphavbeta3 receptor by TRF assay |
Bioorg Med Chem Lett 19: 352-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.074
BindingDB Entry DOI: 10.7270/Q2N016C9 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(RAT) | BDBM50338810
(CHEMBL1684573 | N-isopropyl-2-(2-(3-methoxyphenyl)...)Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC(C)C Show InChI InChI=1S/C28H36N4O4/c1-20(2)29-26(33)19-32-27(21-9-7-10-22(17-21)35-3)30-25-12-11-23(18-24(25)28(32)34)36-16-8-15-31-13-5-4-6-14-31/h7,9-12,17-18,20H,4-6,8,13-16,19H2,1-3H3,(H,29,33) | UniProtKB/SwissProt
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in CHO cells by whole cell binding assay |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50033343
(Benzyl-(6-bromo-2-imidazol-1-yl-quinazolin-4-yl)-a...)Show InChI InChI=1S/C18H14BrN5/c19-14-6-7-16-15(10-14)17(21-11-13-4-2-1-3-5-13)23-18(22-16)24-9-8-20-12-24/h1-10,12H,11H2,(H,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Biofor Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets |
J Med Chem 38: 3547-57 (1995)
BindingDB Entry DOI: 10.7270/Q2F190CB |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50033313
(Benzyl-(2-imidazol-1-yl-6-nitro-quinazolin-4-yl)-a...)Show SMILES [O-][N+](=O)c1ccc2nc(nc(NCc3ccccc3)c2c1)-n1ccnc1 Show InChI InChI=1S/C18H14N6O2/c25-24(26)14-6-7-16-15(10-14)17(20-11-13-4-2-1-3-5-13)22-18(21-16)23-9-8-19-12-23/h1-10,12H,11H2,(H,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Biofor Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets |
J Med Chem 38: 3547-57 (1995)
BindingDB Entry DOI: 10.7270/Q2F190CB |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50033312
(Benzyl-(6-chloro-2-imidazol-1-yl-quinazolin-4-yl)-...)Show InChI InChI=1S/C18H14ClN5/c19-14-6-7-16-15(10-14)17(21-11-13-4-2-1-3-5-13)23-18(22-16)24-9-8-20-12-24/h1-10,12H,11H2,(H,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Biofor Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets |
J Med Chem 38: 3547-57 (1995)
BindingDB Entry DOI: 10.7270/Q2F190CB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50325890
(CHEMBL1224536 | N-(1-((6-(benzo[d][1,3]dioxol-4-yl...)Show SMILES CC(C)(O)CC(=O)Nc1ccc2ccn(Cc3cccc(n3)-c3cccc4OCOc34)c2c1 Show InChI InChI=1S/C26H25N3O4/c1-26(2,31)14-24(30)28-18-10-9-17-11-12-29(22(17)13-18)15-19-5-3-7-21(27-19)20-6-4-8-23-25(20)33-16-32-23/h3-13,31H,14-16H2,1-2H3,(H,28,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 5449-53 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50338810
(CHEMBL1684573 | N-isopropyl-2-(2-(3-methoxyphenyl)...)Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC(C)C Show InChI InChI=1S/C28H36N4O4/c1-20(2)29-26(33)19-32-27(21-9-7-10-22(17-21)35-3)30-25-12-11-23(18-24(25)28(32)34)36-16-8-15-31-13-5-4-6-14-31/h7,9-12,17-18,20H,4-6,8,13-16,19H2,1-3H3,(H,29,33) | UniProtKB/SwissProt
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50311656
(2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...)Show SMILES Fc1ccc2ncn(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc56)c4n3)c2c1 |r| Show InChI InChI=1S/C21H14F2N6O2/c22-11-4-5-14-17(8-11)28(10-25-14)20-24-9-15-19(27-20)29(21(30)26-15)16-6-7-31-18-12(16)2-1-3-13(18)23/h1-5,8-10,16H,6-7H2,(H,26,30)/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay |
Bioorg Med Chem Lett 19: 6788-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.080
BindingDB Entry DOI: 10.7270/Q24B31G4 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50338810
(CHEMBL1684573 | N-isopropyl-2-(2-(3-methoxyphenyl)...)Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC(C)C Show InChI InChI=1S/C28H36N4O4/c1-20(2)29-26(33)19-32-27(21-9-7-10-22(17-21)35-3)30-25-12-11-23(18-24(25)28(32)34)36-16-8-15-31-13-5-4-6-14-31/h7,9-12,17-18,20H,4-6,8,13-16,19H2,1-3H3,(H,29,33) | UniProtKB/SwissProt
antibodypedia
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CHEMBL
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assay |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50338798
(CHEMBL1684561 | N-isopropyl-2-(2-(3-methoxyphenyl)...)Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NC(C)C Show InChI InChI=1S/C27H34N4O5/c1-19(2)28-25(32)18-31-26(20-6-4-7-21(16-20)34-3)29-24-9-8-22(17-23(24)27(31)33)36-13-5-10-30-11-14-35-15-12-30/h4,6-9,16-17,19H,5,10-15,18H2,1-3H3,(H,28,32) | UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(RAT) | BDBM50338811
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1 Show InChI InChI=1S/C27H33ClN4O3/c1-19(2)29-25(33)18-32-26(20-8-6-9-21(28)16-20)30-24-11-10-22(17-23(24)27(32)34)35-15-7-14-31-12-4-3-5-13-31/h6,8-11,16-17,19H,3-5,7,12-15,18H2,1-2H3,(H,29,33) | UniProtKB/SwissProt
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in CHO cells by whole cell binding assay |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311657
(1-(9-(8-fluorochroman-4-yl)-8-oxo-8,9-dihydro-7H-p...)Show SMILES Fc1cccc2[C@@H](CCOc12)n1c2nc(ncc2[nH]c1=O)-n1cnc2ccc(cc12)C#N |r| Show InChI InChI=1S/C22H14FN7O2/c23-14-3-1-2-13-17(6-7-32-19(13)14)30-20-16(27-22(30)31)10-25-21(28-20)29-11-26-15-5-4-12(9-24)8-18(15)29/h1-5,8,10-11,17H,6-7H2,(H,27,31)/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human JAK2 (532-1132) by time resolved fluorescence assay |
Bioorg Med Chem Lett 19: 6788-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.080
BindingDB Entry DOI: 10.7270/Q24B31G4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50325894
(CHEMBL1224615 | N-(3-((6-(benzo[d][1,3]dioxol-4-yl...)Show SMILES Cn1cc(Cc2cccc(n2)-c2cccc3OCOc23)c2cc(NC(=O)CC(C)(C)O)ccc12 Show InChI InChI=1S/C27H27N3O4/c1-27(2,32)14-25(31)29-19-10-11-23-21(13-19)17(15-30(23)3)12-18-6-4-8-22(28-18)20-7-5-9-24-26(20)34-16-33-24/h4-11,13,15,32H,12,14,16H2,1-3H3,(H,29,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 5449-53 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V
(Homo sapiens (Human)) | BDBM50277112
(3-[1-Oxo-6-(1,2,3,4-tetrahydro-benzo[4,5]imidazo[1...)Show SMILES OC(=O)CC(N1CCc2cc(Oc3cccc4n5CCCNc5nc34)ccc2C1=O)c1cccnc1 Show InChI InChI=1S/C27H25N5O4/c33-24(34)15-22(18-4-2-10-28-16-18)31-13-9-17-14-19(7-8-20(17)26(31)35)36-23-6-1-5-21-25(23)30-27-29-11-3-12-32(21)27/h1-2,4-8,10,14,16,22H,3,9,11-13,15H2,(H,29,30)(H,33,34) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human integrin alphavbeta5 receptor by TRF assay |
Bioorg Med Chem Lett 19: 352-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.074
BindingDB Entry DOI: 10.7270/Q2N016C9 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50338799
(2-(2-(3-chlorophenyl)-6-(3-morpholinopropoxy)-4-ox...)Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cccc(Cl)c1 Show InChI InChI=1S/C26H31ClN4O4/c1-18(2)28-24(32)17-31-25(19-5-3-6-20(27)15-19)29-23-8-7-21(16-22(23)26(31)33)35-12-4-9-30-10-13-34-14-11-30/h3,5-8,15-16,18H,4,9-14,17H2,1-2H3,(H,28,32) | UniProtKB/SwissProt
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50338811
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1 Show InChI InChI=1S/C27H33ClN4O3/c1-19(2)29-25(33)18-32-26(20-8-6-9-21(28)16-20)30-24-11-10-22(17-23(24)27(32)34)35-15-7-14-31-12-4-3-5-13-31/h6,8-11,16-17,19H,3-5,7,12-15,18H2,1-2H3,(H,29,33) | UniProtKB/SwissProt
antibodypedia
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assay |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50311644
(1-(9-(2,6-difluorobenzyl)-8-oxo-8,9-dihydro-7H-pur...)Show SMILES Fc1cccc(F)c1Cn1c2nc(ncc2[nH]c1=O)-n1cnc2ccc(cc12)C#N Show InChI InChI=1S/C20H11F2N7O/c21-13-2-1-3-14(22)12(13)9-28-18-16(26-20(28)30)8-24-19(27-18)29-10-25-15-5-4-11(7-23)6-17(15)29/h1-6,8,10H,9H2,(H,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay |
Bioorg Med Chem Lett 19: 6788-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.080
BindingDB Entry DOI: 10.7270/Q24B31G4 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50338811
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1 Show InChI InChI=1S/C27H33ClN4O3/c1-19(2)29-25(33)18-32-26(20-8-6-9-21(28)16-20)30-24-11-10-22(17-23(24)27(32)34)35-15-7-14-31-12-4-3-5-13-31/h6,8-11,16-17,19H,3-5,7,12-15,18H2,1-2H3,(H,29,33) | UniProtKB/SwissProt
antibodypedia
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50345055
(2-(6-(5-((dimethylamino)methyl)-2-fluorophenyl)-2-...)Show SMILES COc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cc(CN(C)C)ccc1F Show InChI InChI=1S/C29H31FN4O3/c1-18(2)31-27(35)17-34-28(21-7-6-8-22(14-21)37-5)32-26-12-10-20(15-24(26)29(34)36)23-13-19(16-33(3)4)9-11-25(23)30/h6-15,18H,16-17H2,1-5H3,(H,31,35) | UniProtKB/SwissProt
antibodypedia
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole... |
Bioorg Med Chem Lett 21: 3813-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50325888
(CHEMBL1224534 | N-(1-((6-(benzo[d][1,3]dioxol-4-yl...)Show SMILES CC(C)(CO)C(=O)Nc1ccc2ccn(Cc3cccc(n3)-c3cccc4OCOc34)c2c1 Show InChI InChI=1S/C26H25N3O4/c1-26(2,15-30)25(31)28-18-10-9-17-11-12-29(22(17)13-18)14-19-5-3-7-21(27-19)20-6-4-8-23-24(20)33-16-32-23/h3-13,30H,14-16H2,1-2H3,(H,28,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 5449-53 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50325892
(CHEMBL1224613 | N-(3-((6-(benzo[d][1,3]dioxol-4-yl...)Show SMILES Cn1cc(Cc2cccc(n2)-c2cccc3OCOc23)c2cc(NC(=O)C(C)(C)CO)ccc12 Show InChI InChI=1S/C27H27N3O4/c1-27(2,15-31)26(32)29-19-10-11-23-21(13-19)17(14-30(23)3)12-18-6-4-8-22(28-18)20-7-5-9-24-25(20)34-16-33-24/h4-11,13-14,31H,12,15-16H2,1-3H3,(H,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 5449-53 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V
(Homo sapiens (Human)) | BDBM50277098
(3-[1-Oxo-6-(1,2,3,4-tetrahydro-benzo[4,5]imidazo[1...)Show SMILES OC(=O)CCN1CCc2cc(Oc3cccc4n5CCCNc5nc34)ccc2C1=O Show InChI InChI=1S/C22H22N4O4/c27-19(28)8-12-25-11-7-14-13-15(5-6-16(14)21(25)29)30-18-4-1-3-17-20(18)24-22-23-9-2-10-26(17)22/h1,3-6,13H,2,7-12H2,(H,23,24)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human integrin alphavbeta3 receptor by TRF assay |
Bioorg Med Chem Lett 19: 352-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.074
BindingDB Entry DOI: 10.7270/Q2N016C9 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50311640
(1-(8-oxo-9-(tetrahydro-2H-pyran-4-yl)-8,9-dihydro-...)Show SMILES O=c1[nH]c2cnc(nc2n1C1CCOCC1)-n1cnc2ccc(cc12)C#N Show InChI InChI=1S/C18H15N7O2/c19-8-11-1-2-13-15(7-11)24(10-21-13)17-20-9-14-16(23-17)25(18(26)22-14)12-3-5-27-6-4-12/h1-2,7,9-10,12H,3-6H2,(H,22,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay |
Bioorg Med Chem Lett 19: 6788-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.080
BindingDB Entry DOI: 10.7270/Q24B31G4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50156754
((S)-N-methoxy-4-methyl-3-(4-(methyl(neopentyl)amin...)Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1 |r| Show InChI InChI=1S/C22H34N8O2/c1-14-7-8-15(18(31)29-32-6)11-17(14)25-20-26-19(24-16-9-10-23-12-16)27-21(28-20)30(5)13-22(2,3)4/h7-8,11,16,23H,9-10,12-13H2,1-6H3,(H,29,31)(H2,24,25,26,27,28)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli |
J Med Chem 47: 6283-91 (2004)
Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50345043
(2-(6-(3-((dimethylamino)methyl)phenyl)-2-(3-methox...)Show SMILES COc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C29H32N4O3/c1-19(2)30-27(34)18-33-28(23-10-7-11-24(15-23)36-5)31-26-13-12-22(16-25(26)29(33)35)21-9-6-8-20(14-21)17-32(3)4/h6-16,19H,17-18H2,1-5H3,(H,30,34) | UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole... |
Bioorg Med Chem Lett 21: 3813-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50345048
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-ylme...)Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)-c1cccc(CN2CCCCC2)c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C31H33ClN4O2/c1-21(2)33-29(37)20-36-30(25-10-7-11-26(32)17-25)34-28-13-12-24(18-27(28)31(36)38)23-9-6-8-22(16-23)19-35-14-4-3-5-15-35/h6-13,16-18,21H,3-5,14-15,19-20H2,1-2H3,(H,33,37) | UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| Article
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole... |
Bioorg Med Chem Lett 21: 3813-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50033306
(Benzyl-(6-nitro-2-pyridin-3-yl-quinazolin-4-yl)-am...)Show SMILES [O-][N+](=O)c1ccc2nc(nc(NCc3ccccc3)c2c1)-c1cccnc1 Show InChI InChI=1S/C20H15N5O2/c26-25(27)16-8-9-18-17(11-16)20(22-12-14-5-2-1-3-6-14)24-19(23-18)15-7-4-10-21-13-15/h1-11,13H,12H2,(H,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Biofor Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets |
J Med Chem 38: 3547-57 (1995)
BindingDB Entry DOI: 10.7270/Q2F190CB |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50033328
(Benzyl-(2-imidazol-1-yl-6-methylsulfanyl-quinazoli...)Show InChI InChI=1S/C19H17N5S/c1-25-15-7-8-17-16(11-15)18(21-12-14-5-3-2-4-6-14)23-19(22-17)24-10-9-20-13-24/h2-11,13H,12H2,1H3,(H,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Biofor Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets |
J Med Chem 38: 3547-57 (1995)
BindingDB Entry DOI: 10.7270/Q2F190CB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50311639
(2-(6-chloro-1H-benzo[d]imidazol-1-yl)-9-(tetrahydr...)Show SMILES Clc1ccc2ncn(-c3ncc4[nH]c(=O)n(C5CCOCC5)c4n3)c2c1 Show InChI InChI=1S/C17H15ClN6O2/c18-10-1-2-12-14(7-10)23(9-20-12)16-19-8-13-15(22-16)24(17(25)21-13)11-3-5-26-6-4-11/h1-2,7-9,11H,3-6H2,(H,21,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay |
Bioorg Med Chem Lett 19: 6788-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.080
BindingDB Entry DOI: 10.7270/Q24B31G4 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V
(Homo sapiens (Human)) | BDBM50277111
(3-Benzo[1,3]dioxol-5-yl-3-[1-oxo-6-(1,2,3,4-tetrah...)Show SMILES OC(=O)CC(N1CCc2cc(Oc3cccc4n5CCCNc5nc34)ccc2C1=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H26N4O6/c34-26(35)15-22(18-5-8-23-25(14-18)38-16-37-23)32-12-9-17-13-19(6-7-20(17)28(32)36)39-24-4-1-3-21-27(24)31-29-30-10-2-11-33(21)29/h1,3-8,13-14,22H,2,9-12,15-16H2,(H,30,31)(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human integrin alphavbeta5 receptor by TRF assay |
Bioorg Med Chem Lett 19: 352-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.074
BindingDB Entry DOI: 10.7270/Q2N016C9 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50311655
(2-(6-chloro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...)Show SMILES Fc1cccc2[C@@H](CCOc12)n1c2nc(ncc2[nH]c1=O)-n1cnc2ccc(Cl)cc12 |r| Show InChI InChI=1S/C21H14ClFN6O2/c22-11-4-5-14-17(8-11)28(10-25-14)20-24-9-15-19(27-20)29(21(30)26-15)16-6-7-31-18-12(16)2-1-3-13(18)23/h1-5,8-10,16H,6-7H2,(H,26,30)/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay |
Bioorg Med Chem Lett 19: 6788-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.080
BindingDB Entry DOI: 10.7270/Q24B31G4 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50338780
(CHEMBL1684408 | N-(cyclopropylmethyl)-2-(2-(3-meth...)Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1 Show InChI InChI=1S/C28H34N4O5/c1-35-22-5-2-4-21(16-22)27-30-25-9-8-23(37-13-3-10-31-11-14-36-15-12-31)17-24(25)28(34)32(27)19-26(33)29-18-20-6-7-20/h2,4-5,8-9,16-17,20H,3,6-7,10-15,18-19H2,1H3,(H,29,33) | UniProtKB/SwissProt
antibodypedia
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 |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50156743
((S)-N-hydroxy-4-methyl-3-(4-(methyl(neopentyl)amin...)Show SMILES CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(=O)NO)n1 |r| Show InChI InChI=1S/C21H32N8O2/c1-13-6-7-14(17(30)28-31)10-16(13)24-19-25-18(23-15-8-9-22-11-15)26-20(27-19)29(5)12-21(2,3)4/h6-7,10,15,22,31H,8-9,11-12H2,1-5H3,(H,28,30)(H2,23,24,25,26,27)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli |
J Med Chem 47: 6283-91 (2004)
Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50033293
(Benzyl-(2-imidazol-1-yl-6-methoxy-quinazolin-4-yl)...)Show InChI InChI=1S/C19H17N5O/c1-25-15-7-8-17-16(11-15)18(21-12-14-5-3-2-4-6-14)23-19(22-17)24-10-9-20-13-24/h2-11,13H,12H2,1H3,(H,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Biofor Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets |
J Med Chem 38: 3547-57 (1995)
BindingDB Entry DOI: 10.7270/Q2F190CB |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50311642
(1-(9-(2,3-difluorobenzyl)-8-oxo-8,9-dihydro-7H-pur...)Show SMILES Fc1cccc(Cn2c3nc(ncc3[nH]c2=O)-n2cnc3ccc(cc23)C#N)c1F Show InChI InChI=1S/C20H11F2N7O/c21-13-3-1-2-12(17(13)22)9-28-18-15(26-20(28)30)8-24-19(27-18)29-10-25-14-5-4-11(7-23)6-16(14)29/h1-6,8,10H,9H2,(H,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay |
Bioorg Med Chem Lett 19: 6788-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.080
BindingDB Entry DOI: 10.7270/Q24B31G4 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50338808
(CHEMBL1684571 | N-cyclopropyl-2-(2-(3-methoxypheny...)Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC1CC1 Show InChI InChI=1S/C28H34N4O4/c1-35-22-8-5-7-20(17-22)27-30-25-12-11-23(36-16-6-15-31-13-3-2-4-14-31)18-24(25)28(34)32(27)19-26(33)29-21-9-10-21/h5,7-8,11-12,17-18,21H,2-4,6,9-10,13-16,19H2,1H3,(H,29,33) | UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50156750
(CHEMBL376506 | DEL-A, 5 | N-methoxy-4-methyl-3-(4-...)Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCNCC2)N(C)CC(C)(C)C)c1 Show InChI InChI=1S/C22H34N8O2/c1-15-7-8-16(18(31)28-32-6)13-17(15)24-19-25-20(29(5)14-22(2,3)4)27-21(26-19)30-11-9-23-10-12-30/h7-8,13,23H,9-12,14H2,1-6H3,(H,28,31)(H,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli |
J Med Chem 47: 6283-91 (2004)
Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50345046
(2-(2-(3-chlorophenyl)-6-(3-((dimethylamino)methyl)...)Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)-c1cccc(CN(C)C)c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C28H29ClN4O2/c1-18(2)30-26(34)17-33-27(22-9-6-10-23(29)14-22)31-25-12-11-21(15-24(25)28(33)35)20-8-5-7-19(13-20)16-32(3)4/h5-15,18H,16-17H2,1-4H3,(H,30,34) | UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole... |
Bioorg Med Chem Lett 21: 3813-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50325895
(CHEMBL1224667 | N-(3-((6-(4-fluoro-2-methoxyphenyl...)Show SMILES COc1cc(F)ccc1-c1cccc(Cc2cn(C)c3ccc(NC(=O)CC(C)(C)O)cc23)n1 Show InChI InChI=1S/C27H28FN3O3/c1-27(2,33)15-26(32)30-20-9-11-24-22(14-20)17(16-31(24)3)12-19-6-5-7-23(29-19)21-10-8-18(28)13-25(21)34-4/h5-11,13-14,16,33H,12,15H2,1-4H3,(H,30,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 5449-53 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50325882
(CHEMBL1224373 | N-(1-((6-(benzo[d][1,3]dioxol-4-yl...)Show SMILES CC(C)(C)C(=O)Nc1ccc2ncn(Cc3cccc(n3)-c3cccc4OCOc34)c2c1 Show InChI InChI=1S/C25H24N4O3/c1-25(2,3)24(30)28-16-10-11-20-21(12-16)29(14-26-20)13-17-6-4-8-19(27-17)18-7-5-9-22-23(18)32-15-31-22/h4-12,14H,13,15H2,1-3H3,(H,28,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 5449-53 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958 |
More data for this
Ligand-Target Pair | |
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