Found 90 hits with Last Name = 'falcioni' and Initial = 'f' 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 |
|---|
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50371874
(CHEMBL257733)Show SMILES CO[C@@H]1CN(C[C@H]2Cc3ccc(cc3C2)C#N)CC[C@H]1n1c(nc2cc(C)c(F)cc12)C(C)(C)O Show InChI InChI=1S/C28H33FN4O2/c1-17-9-23-25(13-22(17)29)33(27(31-23)28(2,3)34)24-7-8-32(16-26(24)35-4)15-19-11-20-6-5-18(14-30)10-21(20)12-19/h5-6,9-10,13,19,24,26,34H,7-8,11-12,15-16H2,1-4H3/t19-,24+,26+/m0/s1 | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 18: 1402-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50371872
(CHEMBL257280)Show SMILES CO[C@@H]1CN(C[C@H]2Cc3ccc(cc3C2)C#N)CC[C@H]1n1c(nc2cc(C)ccc12)C(C)(C)O Show InChI InChI=1S/C28H34N4O2/c1-18-5-8-24-23(11-18)30-27(28(2,3)33)32(24)25-9-10-31(17-26(25)34-4)16-20-13-21-7-6-19(15-29)12-22(21)14-20/h5-8,11-12,20,25-26,33H,9-10,13-14,16-17H2,1-4H3/t20-,25+,26+/m0/s1 | Reactome pathway
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| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 18: 1402-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50371868
(CHEMBL269939)Show SMILES CO[C@@H]1CN(C[C@H]2Cc3ccc(Br)cc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc12 Show InChI InChI=1S/C25H30BrN3O/c1-16-4-7-23-22(10-16)27-17(2)29(23)24-8-9-28(15-25(24)30-3)14-18-11-19-5-6-21(26)13-20(19)12-18/h4-7,10,13,18,24-25H,8-9,11-12,14-15H2,1-3H3/t18-,24+,25+/m0/s1 | Reactome pathway
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PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 18: 1402-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50371871
(CHEMBL255112)Show SMILES CO[C@H]1CN(CCCc2cccc(NC(=O)C3CC3)c2)CC[C@@H]1n1c(C)nc2cc(C)ccc12 Show InChI InChI=1S/C28H36N4O2/c1-19-9-12-25-24(16-19)29-20(2)32(25)26-13-15-31(18-27(26)34-3)14-5-7-21-6-4-8-23(17-21)30-28(33)22-10-11-22/h4,6,8-9,12,16-17,22,26-27H,5,7,10-11,13-15,18H2,1-3H3,(H,30,33)/t26-,27-/m0/s1 | Reactome pathway
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| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 18: 1402-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50371866
(CHEMBL257906)Show SMILES CO[C@@H]1CN(C[C@H]2Cc3ccc(Br)cc3C2)CC[C@H]1n1c(nc2cc(C)ccc12)C(C)(C)O Show InChI InChI=1S/C27H34BrN3O2/c1-17-5-8-23-22(11-17)29-26(27(2,3)32)31(23)24-9-10-30(16-25(24)33-4)15-18-12-19-6-7-21(28)14-20(19)13-18/h5-8,11,14,18,24-25,32H,9-10,12-13,15-16H2,1-4H3/t18-,24+,25+/m0/s1 | Reactome pathway
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PC cid
PC sid
UniChem
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| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 18: 1402-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50371869
(CHEMBL270151)Show SMILES CO[C@@H]1CN(C[C@H]2Cc3ccc(NC(=O)OC)cc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc12 Show InChI InChI=1S/C27H34N4O3/c1-17-5-8-24-23(11-17)28-18(2)31(24)25-9-10-30(16-26(25)33-3)15-19-12-20-6-7-22(14-21(20)13-19)29-27(32)34-4/h5-8,11,14,19,25-26H,9-10,12-13,15-16H2,1-4H3,(H,29,32)/t19-,25+,26+/m0/s1 | Reactome pathway
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| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 18: 1402-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50371873
(CHEMBL403730)Show SMILES CC(C)C(=O)Nc1cccc(CCCN2CCC(CC2)n2c(C)nc3cc(C)ccc23)c1 Show InChI InChI=1S/C27H36N4O/c1-19(2)27(32)29-23-9-5-7-22(18-23)8-6-14-30-15-12-24(13-16-30)31-21(4)28-25-17-20(3)10-11-26(25)31/h5,7,9-11,17-19,24H,6,8,12-16H2,1-4H3,(H,29,32) | Reactome pathway
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| Article
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 18: 1402-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50371870
(CHEMBL258260)Show SMILES CO[C@@H]1CN(C[C@@H]2Cc3ccc(NC(=O)C(C)C)cc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc12 Show InChI InChI=1S/C29H38N4O2/c1-18(2)29(34)31-24-8-7-22-13-21(14-23(22)15-24)16-32-11-10-27(28(17-32)35-5)33-20(4)30-25-12-19(3)6-9-26(25)33/h6-9,12,15,18,21,27-28H,10-11,13-14,16-17H2,1-5H3,(H,31,34)/t21-,27-,28-/m1/s1 | Reactome pathway
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PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 18: 1402-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50371867
(CHEMBL257905)Show SMILES CO[C@@H]1CN(CC2Cc3ccccc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc12 Show InChI InChI=1S/C25H31N3O/c1-17-8-9-23-22(12-17)26-18(2)28(23)24-10-11-27(16-25(24)29-3)15-19-13-20-6-4-5-7-21(20)14-19/h4-9,12,19,24-25H,10-11,13-16H2,1-3H3/t24-,25-/m1/s1 | Reactome pathway
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PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 18: 1402-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492348
(CHEMBL2403866)Show SMILES Cc1nc2cc(F)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(cc2C1)C#N |r,wU:11.12,14.19,19.21,(52.97,-7.87,;51.79,-8.86,;50.3,-8.5,;49.48,-9.81,;47.96,-10.09,;47.45,-11.54,;45.93,-11.81,;48.44,-12.72,;49.96,-12.44,;50.49,-10.99,;51.9,-10.41,;53.24,-11.19,;53.18,-12.75,;54.49,-13.57,;55.85,-12.85,;55.91,-11.29,;54.59,-10.47,;57.18,-13.64,;58.52,-12.88,;58.54,-11.34,;57.29,-10.42,;57.78,-8.96,;57.03,-7.63,;57.8,-6.31,;59.35,-6.33,;60.1,-7.66,;59.32,-8.98,;59.78,-10.45,;60.13,-5.01,;60.91,-3.68,)| Show InChI InChI=1S/C25H27FN4/c1-16-29-24-13-21(26)4-9-25(24)30(16)23-7-5-22(6-8-23)28-15-18-11-19-3-2-17(14-27)10-20(19)12-18/h2-4,9-10,13,18,22-23,28H,5-8,11-12,15H2,1H3/t18-,22-,23+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492349
(CHEMBL2403861)Show SMILES CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(cc2C1)C#N |r,wU:14.15,17.22,22.24,(71.13,-8.4,;71.91,-9.74,;72.68,-8.4,;73.37,-10.27,;70.74,-10.74,;69.24,-10.38,;68.43,-11.69,;66.91,-11.96,;66.39,-13.41,;64.88,-13.69,;67.38,-14.59,;68.9,-14.32,;69.43,-12.87,;70.85,-12.29,;72.19,-13.07,;72.13,-14.63,;73.44,-15.44,;74.8,-14.73,;74.85,-13.16,;73.53,-12.34,;76.13,-15.51,;77.47,-14.76,;77.48,-13.22,;76.24,-12.3,;76.73,-10.84,;75.98,-9.51,;76.75,-8.19,;78.29,-8.2,;79.04,-9.54,;78.26,-10.86,;78.73,-12.32,;79.06,-6.88,;79.85,-5.55,)| Show InChI InChI=1S/C27H31ClN4O/c1-27(2,33)26-31-24-14-21(28)5-10-25(24)32(26)23-8-6-22(7-9-23)30-16-18-12-19-4-3-17(15-29)11-20(19)13-18/h3-5,10-11,14,18,22-23,30,33H,6-9,12-13,16H2,1-2H3/t18-,22-,23+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492354
(CHEMBL2403862)Show SMILES CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@@H]1Cc2ccc(cc2C1)C#N |r,wU:14.15,17.22,wD:22.24,(41.99,-6.39,;42.77,-7.73,;43.54,-6.38,;44.22,-8.25,;41.59,-8.72,;40.1,-8.36,;39.28,-9.67,;37.76,-9.95,;37.25,-11.4,;35.73,-11.68,;38.24,-12.58,;39.76,-12.31,;40.29,-10.85,;41.7,-10.28,;43.04,-11.06,;42.98,-12.61,;44.29,-13.43,;45.65,-12.71,;45.71,-11.15,;44.39,-10.33,;46.98,-13.5,;48.32,-12.74,;48.34,-11.2,;47.09,-10.29,;47.58,-8.83,;46.83,-7.5,;47.6,-6.18,;49.15,-6.19,;49.9,-7.53,;49.12,-8.85,;49.58,-10.31,;49.92,-4.86,;50.7,-3.54,)| Show InChI InChI=1S/C27H31ClN4O/c1-27(2,33)26-31-24-14-21(28)5-10-25(24)32(26)23-8-6-22(7-9-23)30-16-18-12-19-4-3-17(15-29)11-20(19)13-18/h3-5,10-11,14,18,22-23,30,33H,6-9,12-13,16H2,1-2H3/t18-,22-,23+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492361
(CHEMBL2403864)Show SMILES Cc1ccc2n([C@@H]3CC[C@@H](CC3)NC[C@H]3Cc4ccc(cc4C3)C#N)c(nc2c1)C(C)(C)O |r,wU:6.5,9.12,14.14,(36.65,-12.27,;38.17,-12,;39.16,-13.18,;40.68,-12.9,;41.21,-11.45,;42.62,-10.88,;43.96,-11.65,;43.9,-13.21,;45.22,-14.03,;46.57,-13.31,;46.63,-11.75,;45.31,-10.93,;47.9,-14.1,;49.24,-13.34,;49.26,-11.8,;48.01,-10.88,;48.5,-9.42,;47.75,-8.1,;48.53,-6.78,;50.07,-6.79,;50.82,-8.13,;50.04,-9.44,;50.5,-10.91,;50.84,-5.46,;51.62,-4.14,;42.52,-9.32,;41.02,-8.96,;40.21,-10.27,;38.68,-10.55,;43.69,-8.32,;42.91,-6.99,;44.46,-6.98,;45.14,-8.85,)| Show InChI InChI=1S/C28H34N4O/c1-18-4-11-26-25(12-18)31-27(28(2,3)33)32(26)24-9-7-23(8-10-24)30-17-20-14-21-6-5-19(16-29)13-22(21)15-20/h4-6,11-13,20,23-24,30,33H,7-10,14-15,17H2,1-3H3/t20-,23-,24+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492360
(CHEMBL2403856)Show SMILES Cc1nc2cc(C)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(cc2C1)C#N |r,wU:11.12,14.19,19.21,(37.22,-25.78,;36.05,-26.77,;34.55,-26.4,;33.74,-27.72,;32.21,-27.99,;31.7,-29.44,;30.18,-29.72,;32.69,-30.62,;34.21,-30.35,;34.74,-28.9,;36.16,-28.32,;37.49,-29.1,;37.43,-30.66,;38.75,-31.47,;40.1,-30.76,;40.16,-29.19,;38.84,-28.37,;41.43,-31.54,;42.77,-30.79,;42.79,-29.25,;41.54,-28.33,;42.03,-26.87,;41.28,-25.54,;42.06,-24.22,;43.6,-24.23,;44.35,-25.57,;43.57,-26.89,;44.04,-28.35,;44.37,-22.91,;45.15,-21.58,)| Show InChI InChI=1S/C26H30N4/c1-17-3-10-26-25(11-17)29-18(2)30(26)24-8-6-23(7-9-24)28-16-20-13-21-5-4-19(15-27)12-22(21)14-20/h3-5,10-12,20,23-24,28H,6-9,13-14,16H2,1-2H3/t20-,23-,24+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50371868
(CHEMBL269939)Show SMILES CO[C@@H]1CN(C[C@H]2Cc3ccc(Br)cc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc12 Show InChI InChI=1S/C25H30BrN3O/c1-16-4-7-23-22(10-16)27-17(2)29(23)24-8-9-28(15-25(24)30-3)14-18-11-19-5-6-21(26)13-20(19)12-18/h4-7,10,13,18,24-25H,8-9,11-12,14-15H2,1-3H3/t18-,24+,25+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492355
(CHEMBL2403859)Show SMILES CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(Br)cc2C1 |r,wU:14.15,17.22,22.24,(11.65,-5.98,;12.43,-7.32,;13.2,-5.98,;13.88,-7.85,;11.26,-8.32,;9.76,-7.96,;8.95,-9.27,;7.42,-9.54,;6.91,-11,;5.39,-11.27,;7.9,-12.17,;9.42,-11.9,;9.95,-10.45,;11.36,-9.87,;12.7,-10.65,;12.64,-12.21,;13.96,-13.02,;15.31,-12.31,;15.37,-10.74,;14.05,-9.92,;16.64,-13.09,;17.98,-12.34,;18,-10.8,;16.75,-9.88,;17.24,-8.42,;16.49,-7.09,;17.26,-5.77,;18.81,-5.78,;19.59,-4.46,;19.56,-7.12,;18.78,-8.44,;19.24,-9.91,)| Show InChI InChI=1S/C26H31BrClN3O/c1-26(2,32)25-30-23-14-20(28)5-10-24(23)31(25)22-8-6-21(7-9-22)29-15-16-11-17-3-4-19(27)13-18(17)12-16/h3-5,10,13-14,16,21-22,29,32H,6-9,11-12,15H2,1-2H3/t16-,21-,22+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492348
(CHEMBL2403866)Show SMILES Cc1nc2cc(F)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(cc2C1)C#N |r,wU:11.12,14.19,19.21,(52.97,-7.87,;51.79,-8.86,;50.3,-8.5,;49.48,-9.81,;47.96,-10.09,;47.45,-11.54,;45.93,-11.81,;48.44,-12.72,;49.96,-12.44,;50.49,-10.99,;51.9,-10.41,;53.24,-11.19,;53.18,-12.75,;54.49,-13.57,;55.85,-12.85,;55.91,-11.29,;54.59,-10.47,;57.18,-13.64,;58.52,-12.88,;58.54,-11.34,;57.29,-10.42,;57.78,-8.96,;57.03,-7.63,;57.8,-6.31,;59.35,-6.33,;60.1,-7.66,;59.32,-8.98,;59.78,-10.45,;60.13,-5.01,;60.91,-3.68,)| Show InChI InChI=1S/C25H27FN4/c1-16-29-24-13-21(26)4-9-25(24)30(16)23-7-5-22(6-8-23)28-15-18-11-19-3-2-17(14-27)10-20(19)12-18/h2-4,9-10,13,18,22-23,28H,5-8,11-12,15H2,1H3/t18-,22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel by patch clamp technique |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492350
(CHEMBL2403858)Show SMILES CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccc(Cl)cc2C1 |r,wU:14.15,17.22,(36.22,-8.65,;37,-9.99,;37.77,-8.65,;38.46,-10.52,;35.83,-10.99,;34.33,-10.62,;33.52,-11.94,;32,-12.21,;31.48,-13.66,;29.97,-13.94,;32.47,-14.84,;33.99,-14.57,;34.52,-13.12,;35.94,-12.54,;37.28,-13.32,;37.22,-14.88,;38.53,-15.69,;39.89,-14.98,;39.94,-13.41,;38.62,-12.59,;41.22,-15.76,;42.56,-15.01,;42.57,-13.47,;41.33,-12.55,;41.82,-11.09,;41.07,-9.76,;41.84,-8.44,;43.38,-8.45,;44.16,-7.13,;44.13,-9.79,;43.35,-11.11,;43.82,-12.57,)| Show InChI InChI=1S/C26H31Cl2N3O/c1-26(2,32)25-30-23-14-20(28)5-10-24(23)31(25)22-8-6-21(7-9-22)29-15-16-11-17-3-4-19(27)13-18(17)12-16/h3-5,10,13-14,16,21-22,29,32H,6-9,11-12,15H2,1-2H3/t16?,21-,22+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492351
(CHEMBL2403857)Show SMILES CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccccc2C1 |r,wU:14.15,17.22,(12.55,-5.84,;13.32,-7.18,;14.09,-5.84,;14.78,-7.71,;12.15,-8.18,;10.66,-7.82,;9.84,-9.13,;8.32,-9.41,;7.81,-10.86,;6.29,-11.13,;8.79,-12.03,;10.31,-11.76,;10.84,-10.31,;12.26,-9.73,;13.6,-10.51,;13.54,-12.07,;14.85,-12.89,;16.21,-12.17,;16.26,-10.61,;14.94,-9.78,;17.54,-12.96,;18.88,-12.2,;18.89,-10.66,;20.14,-9.77,;19.67,-8.3,;20.46,-6.98,;19.7,-5.65,;18.16,-5.63,;17.39,-6.95,;18.14,-8.28,;17.65,-9.74,)| Show InChI InChI=1S/C26H32ClN3O/c1-26(2,31)25-29-23-15-20(27)7-12-24(23)30(25)22-10-8-21(9-11-22)28-16-17-13-18-5-3-4-6-19(18)14-17/h3-7,12,15,17,21-22,28,31H,8-11,13-14,16H2,1-2H3/t21-,22+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492347
(CHEMBL2403852)Show SMILES Cc1nc2cc(C)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(Br)cc2C1 |r,wU:19.21,wD:11.12,14.19,(10.24,-8.49,;9.76,-9.96,;8.29,-10.43,;8.29,-11.97,;7.15,-13,;7.47,-14.51,;6.33,-15.54,;8.93,-14.99,;10.08,-13.96,;9.76,-12.45,;10.66,-11.2,;12.2,-11.2,;12.97,-9.87,;14.51,-9.87,;15.28,-11.2,;14.51,-12.54,;12.97,-12.54,;16.82,-11.2,;17.59,-9.87,;19.13,-9.87,;20.04,-8.62,;21.5,-9.1,;22.84,-8.33,;24.17,-9.1,;24.17,-10.64,;25.51,-11.41,;22.84,-11.41,;21.5,-10.64,;20.04,-11.12,)| Show InChI InChI=1S/C25H30BrN3/c1-16-3-10-25-24(11-16)28-17(2)29(25)23-8-6-22(7-9-23)27-15-18-12-19-4-5-21(26)14-20(19)13-18/h3-5,10-11,14,18,22-23,27H,6-9,12-13,15H2,1-2H3/t18-,22-,23+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492356
(CHEMBL2403854)Show SMILES Cc1nc2cc(C)ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccc(Cl)cc2C1 |r,wU:11.12,14.19,(6.58,-24.86,;5.4,-25.85,;3.9,-25.49,;3.09,-26.8,;1.57,-27.07,;1.05,-28.53,;-.46,-28.8,;2.04,-29.7,;3.56,-29.43,;4.09,-27.98,;5.51,-27.4,;6.85,-28.18,;6.79,-29.74,;8.1,-30.55,;9.45,-29.84,;9.51,-28.27,;8.19,-27.45,;10.79,-30.62,;12.13,-29.87,;12.14,-28.33,;10.9,-27.41,;11.39,-25.95,;10.64,-24.62,;11.41,-23.3,;12.95,-23.31,;13.73,-21.99,;13.7,-24.65,;12.92,-25.97,;13.39,-27.43,)| Show InChI InChI=1S/C25H30ClN3/c1-16-3-10-25-24(11-16)28-17(2)29(25)23-8-6-22(7-9-23)27-15-18-12-19-4-5-21(26)14-20(19)13-18/h3-5,10-11,14,18,22-23,27H,6-9,12-13,15H2,1-2H3/t18?,22-,23+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492349
(CHEMBL2403861)Show SMILES CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(cc2C1)C#N |r,wU:14.15,17.22,22.24,(71.13,-8.4,;71.91,-9.74,;72.68,-8.4,;73.37,-10.27,;70.74,-10.74,;69.24,-10.38,;68.43,-11.69,;66.91,-11.96,;66.39,-13.41,;64.88,-13.69,;67.38,-14.59,;68.9,-14.32,;69.43,-12.87,;70.85,-12.29,;72.19,-13.07,;72.13,-14.63,;73.44,-15.44,;74.8,-14.73,;74.85,-13.16,;73.53,-12.34,;76.13,-15.51,;77.47,-14.76,;77.48,-13.22,;76.24,-12.3,;76.73,-10.84,;75.98,-9.51,;76.75,-8.19,;78.29,-8.2,;79.04,-9.54,;78.26,-10.86,;78.73,-12.32,;79.06,-6.88,;79.85,-5.55,)| Show InChI InChI=1S/C27H31ClN4O/c1-27(2,33)26-31-24-14-21(28)5-10-25(24)32(26)23-8-6-22(7-9-23)30-16-18-12-19-4-3-17(15-29)11-20(19)13-18/h3-5,10-11,14,18,22-23,30,33H,6-9,12-13,16H2,1-2H3/t18-,22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel by patch clamp technique |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492367
(CHEMBL2403850)Show SMILES Cc1nc2cc(C)ccc2n1[C@@H]1CC[C@@H](CC1)NC1Cc2ccc(Cl)cc2C1 |r,wU:11.12,14.19,(10.74,-7.8,;10.26,-9.26,;8.8,-9.74,;8.8,-11.28,;7.65,-12.31,;7.97,-13.82,;6.83,-14.85,;9.44,-14.29,;10.58,-13.26,;10.26,-11.76,;11.17,-10.51,;12.7,-10.51,;13.48,-11.84,;15.01,-11.84,;15.79,-10.51,;15.01,-9.18,;13.48,-9.18,;17.33,-10.51,;18.09,-9.18,;17.47,-7.77,;18.61,-6.74,;18.61,-5.2,;19.95,-4.43,;21.28,-5.2,;22.61,-4.43,;21.28,-6.74,;19.95,-7.51,;19.63,-9.02,)| Show InChI InChI=1S/C24H28ClN3/c1-15-3-10-24-23(11-15)26-16(2)28(24)22-8-6-20(7-9-22)27-21-13-17-4-5-19(25)12-18(17)14-21/h3-5,10-12,20-22,27H,6-9,13-14H2,1-2H3/t20-,21?,22+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492364
(CHEMBL2403863)Show SMILES Cc1ccc2n([C@@H]3CC[C@@H](CC3)NCC3Cc4ccc(F)cc4C3)c(nc2c1)C(C)(C)O |r,wU:6.5,9.12,(52,-11.61,;53.52,-11.34,;54.5,-12.51,;56.02,-12.24,;56.55,-10.79,;57.97,-10.21,;59.31,-10.99,;59.25,-12.55,;60.56,-13.37,;61.92,-12.65,;61.97,-11.09,;60.65,-10.26,;63.25,-13.44,;64.59,-12.68,;64.6,-11.14,;63.36,-10.22,;63.85,-8.76,;63.1,-7.43,;63.87,-6.12,;65.41,-6.13,;66.2,-4.8,;66.17,-7.46,;65.38,-8.78,;65.85,-10.25,;57.86,-8.66,;56.37,-8.3,;55.55,-9.61,;54.03,-9.89,;59.03,-7.66,;58.26,-6.32,;59.8,-6.32,;60.49,-8.19,)| Show InChI InChI=1S/C27H34FN3O/c1-17-4-11-25-24(12-17)30-26(27(2,3)32)31(25)23-9-7-22(8-10-23)29-16-18-13-19-5-6-21(28)15-20(19)14-18/h4-6,11-12,15,18,22-23,29,32H,7-10,13-14,16H2,1-3H3/t18?,22-,23+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492353
(CHEMBL2403865)Show SMILES Cc1nc2cc(ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccc(Cl)cc2C1)C#N |r,wU:10.11,13.18,(61.81,-8.75,;60.63,-9.74,;59.13,-9.38,;58.32,-10.69,;56.8,-10.97,;56.28,-12.42,;57.27,-13.6,;58.79,-13.32,;59.32,-11.87,;60.74,-11.3,;62.08,-12.07,;62.02,-13.63,;63.33,-14.45,;64.68,-13.73,;64.74,-12.17,;63.42,-11.35,;66.02,-14.52,;67.36,-13.76,;67.37,-12.22,;66.13,-11.3,;66.62,-9.84,;65.87,-8.52,;66.64,-7.2,;68.18,-7.21,;68.96,-5.88,;68.93,-8.55,;68.15,-9.86,;68.62,-11.33,;54.77,-12.7,;53.26,-12.98,)| Show InChI InChI=1S/C25H27ClN4/c1-16-29-24-12-17(14-27)2-9-25(24)30(16)23-7-5-22(6-8-23)28-15-18-10-19-3-4-21(26)13-20(19)11-18/h2-4,9,12-13,18,22-23,28H,5-8,10-11,15H2,1H3/t18?,22-,23+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492358
(CHEMBL2403870)Show SMILES Cc1nc2cc(C)ccc2n1[C@H]1CC[C@H](C1)NC[C@H]1Cc2ccc(Br)cc2C1 |r| Show InChI InChI=1S/C24H28BrN3/c1-15-3-8-24-23(9-15)27-16(2)28(24)22-7-6-21(13-22)26-14-17-10-18-4-5-20(25)12-19(18)11-17/h3-5,8-9,12,17,21-22,26H,6-7,10-11,13-14H2,1-2H3/t17-,21+,22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492365
(CHEMBL2403860)Show SMILES CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccc(cc2C1)C(F)(F)F |r,wU:14.15,17.22,(26.9,-6.63,;27.68,-7.97,;28.45,-6.62,;29.13,-8.49,;26.51,-8.97,;25.01,-8.6,;24.2,-9.91,;22.67,-10.19,;22.16,-11.64,;20.65,-11.92,;23.15,-12.82,;24.67,-12.55,;25.2,-11.09,;26.62,-10.52,;27.96,-11.3,;27.89,-12.86,;29.21,-13.67,;30.56,-12.95,;30.62,-11.39,;29.3,-10.57,;31.89,-13.74,;33.23,-12.98,;33.25,-11.44,;32,-10.53,;32.49,-9.07,;31.74,-7.74,;32.52,-6.42,;34.06,-6.43,;34.81,-7.77,;34.03,-9.09,;34.5,-10.55,;34.84,-5.1,;36.38,-5.12,;34.08,-3.76,;35.6,-3.76,)| Show InChI InChI=1S/C27H31ClF3N3O/c1-26(2,35)25-33-23-14-20(28)5-10-24(23)34(25)22-8-6-21(7-9-22)32-15-16-11-17-3-4-19(27(29,30)31)13-18(17)12-16/h3-5,10,13-14,16,21-22,32,35H,6-9,11-12,15H2,1-2H3/t16?,21-,22+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492366
(CHEMBL2403853)Show SMILES Cc1nc2cc(C)ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccccc2C1 |r,wU:11.12,14.19,(57.13,-13.49,;55.95,-14.49,;54.45,-14.12,;53.64,-15.43,;52.12,-15.71,;51.6,-17.16,;50.09,-17.44,;52.59,-18.34,;54.11,-18.07,;54.64,-16.61,;56.06,-16.04,;57.4,-16.82,;57.34,-18.38,;58.65,-19.19,;60,-18.47,;60.06,-16.91,;58.74,-16.09,;61.34,-19.26,;62.68,-18.5,;62.69,-16.96,;63.94,-16.07,;63.47,-14.61,;64.25,-13.29,;63.5,-11.95,;61.96,-11.94,;61.19,-13.26,;61.94,-14.59,;61.45,-16.05,)| Show InChI InChI=1S/C25H31N3/c1-17-7-12-25-24(13-17)27-18(2)28(25)23-10-8-22(9-11-23)26-16-19-14-20-5-3-4-6-21(20)15-19/h3-7,12-13,19,22-23,26H,8-11,14-16H2,1-2H3/t22-,23+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492362
(CHEMBL2403868)Show SMILES Cc1ccc2n([C@H]3CC[C@@H](CC3)NC[C@H]3Cc4ccc(cc4C3)C#N)c(nc2c1)C(C)(C)O |r,wU:6.5,14.14,wD:9.12,(55.67,-12.38,;57.18,-12.11,;58.17,-13.28,;59.69,-13.01,;60.22,-11.56,;61.64,-10.98,;62.98,-11.76,;64.32,-11.03,;65.64,-11.86,;65.58,-13.42,;64.23,-14.14,;62.91,-13.32,;66.91,-14.21,;68.25,-13.45,;68.27,-11.91,;67.03,-10.99,;67.52,-9.53,;66.76,-8.2,;67.54,-6.88,;69.08,-6.9,;69.83,-8.23,;69.05,-9.55,;69.52,-11.02,;69.85,-5.57,;70.63,-4.25,;61.53,-9.43,;60.03,-9.07,;59.22,-10.38,;57.69,-10.65,;62.7,-8.43,;61.92,-7.09,;63.47,-7.09,;64.15,-8.96,)| Show InChI InChI=1S/C28H34N4O/c1-18-4-11-26-25(12-18)31-27(28(2,3)33)32(26)24-9-7-23(8-10-24)30-17-20-14-21-6-5-19(16-29)13-22(21)15-20/h4-6,11-13,20,23-24,30,33H,7-10,14-15,17H2,1-3H3/t20-,23-,24-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492350
(CHEMBL2403858)Show SMILES CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccc(Cl)cc2C1 |r,wU:14.15,17.22,(36.22,-8.65,;37,-9.99,;37.77,-8.65,;38.46,-10.52,;35.83,-10.99,;34.33,-10.62,;33.52,-11.94,;32,-12.21,;31.48,-13.66,;29.97,-13.94,;32.47,-14.84,;33.99,-14.57,;34.52,-13.12,;35.94,-12.54,;37.28,-13.32,;37.22,-14.88,;38.53,-15.69,;39.89,-14.98,;39.94,-13.41,;38.62,-12.59,;41.22,-15.76,;42.56,-15.01,;42.57,-13.47,;41.33,-12.55,;41.82,-11.09,;41.07,-9.76,;41.84,-8.44,;43.38,-8.45,;44.16,-7.13,;44.13,-9.79,;43.35,-11.11,;43.82,-12.57,)| Show InChI InChI=1S/C26H31Cl2N3O/c1-26(2,32)25-30-23-14-20(28)5-10-24(23)31(25)22-8-6-21(7-9-22)29-15-16-11-17-3-4-19(27)13-18(17)12-16/h3-5,10,13-14,16,21-22,29,32H,6-9,11-12,15H2,1-2H3/t16?,21-,22+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel by patch clamp technique |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492359
(CHEMBL2403869)Show SMILES Cc1nc2cc(C)ccc2n1[C@H]1CC[C@@H](C1)NC[C@H]1Cc2ccc(Br)cc2C1 |r| Show InChI InChI=1S/C24H28BrN3/c1-15-3-8-24-23(9-15)27-16(2)28(24)22-7-6-21(13-22)26-14-17-10-18-4-5-20(25)12-19(18)11-17/h3-5,8-9,12,17,21-22,26H,6-7,10-11,13-14H2,1-2H3/t17-,21-,22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492363
(CHEMBL2403855)Show SMILES Cc1nc2cc(C)ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccc(cc2C1)C(F)(F)F |r,wU:11.12,14.19,(21.79,-25.6,;20.61,-26.6,;19.12,-26.23,;18.31,-27.54,;16.78,-27.82,;16.27,-29.27,;14.75,-29.55,;17.26,-30.45,;18.78,-30.18,;19.31,-28.72,;20.72,-28.15,;22.06,-28.93,;22,-30.49,;23.32,-31.3,;24.67,-30.58,;24.73,-29.02,;23.41,-28.2,;26,-31.37,;27.34,-30.61,;27.36,-29.07,;26.11,-28.16,;26.6,-26.7,;25.85,-25.37,;26.62,-24.05,;28.17,-24.06,;28.92,-25.4,;28.14,-26.72,;28.6,-28.18,;28.95,-22.74,;30.49,-22.75,;28.19,-21.39,;29.7,-21.39,)| Show InChI InChI=1S/C26H30F3N3/c1-16-3-10-25-24(11-16)31-17(2)32(25)23-8-6-22(7-9-23)30-15-18-12-19-4-5-21(26(27,28)29)14-20(19)13-18/h3-5,10-11,14,18,22-23,30H,6-9,12-13,15H2,1-2H3/t18?,22-,23+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492352
(CHEMBL2403867)Show SMILES Cc1ccc2n([C@H]3CC[C@@H](CC3)NCC3Cc4ccc(F)cc4C3)c(nc2c1)C(C)(C)O |r,wU:6.5,wD:9.12,(64.6,-11.23,;66.11,-10.95,;67.1,-12.13,;68.62,-11.86,;69.15,-10.4,;70.57,-9.83,;71.91,-10.61,;73.25,-9.88,;74.57,-10.7,;74.51,-12.27,;73.16,-12.98,;71.85,-12.17,;75.85,-13.05,;77.19,-12.29,;77.2,-10.75,;75.96,-9.84,;76.45,-8.38,;75.7,-7.05,;76.47,-5.73,;78.01,-5.74,;78.79,-4.42,;78.76,-7.08,;77.98,-8.4,;78.45,-9.86,;70.46,-8.28,;68.96,-7.91,;68.15,-9.22,;66.63,-9.5,;71.63,-7.28,;70.85,-5.94,;72.4,-5.94,;73.09,-7.81,)| Show InChI InChI=1S/C27H34FN3O/c1-17-4-11-25-24(12-17)30-26(27(2,3)32)31(25)23-9-7-22(8-10-23)29-16-18-13-19-5-6-21(28)15-20(19)14-18/h4-6,11-12,15,18,22-23,29,32H,7-10,13-14,16H2,1-3H3/t18?,22-,23- | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50492357
(CHEMBL2403851)Show SMILES Cc1nc2cc(C)ccc2n1[C@H]1CC[C@@H](CC1)NC1Cc2ccc(Cl)cc2C1 |r,wU:11.12,wD:14.19,(10.74,-7.8,;10.26,-9.26,;8.8,-9.74,;8.8,-11.28,;7.65,-12.31,;7.97,-13.82,;6.83,-14.85,;9.44,-14.29,;10.58,-13.26,;10.26,-11.76,;11.17,-10.51,;12.7,-10.51,;13.48,-9.18,;15.01,-9.18,;15.79,-10.51,;15.01,-11.84,;13.48,-11.84,;17.33,-10.51,;18.09,-9.18,;17.47,-7.77,;18.61,-6.74,;18.61,-5.2,;19.95,-4.43,;21.28,-5.2,;22.61,-4.43,;21.28,-6.74,;19.95,-7.51,;19.63,-9.02,)| Show InChI InChI=1S/C24H28ClN3/c1-15-3-10-24-23(11-15)26-16(2)28(24)22-8-6-20(7-9-22)27-21-13-17-4-5-19(25)12-18(17)14-21/h3-5,10-12,20-22,27H,6-9,13-14H2,1-2H3/t20-,21?,22- | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells |
Bioorg Med Chem Lett 23: 4216-20 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50135663
(3-(4-Biphenyl-4-ylmethyl-piperazin-1-ylmethyl)-pyr...)Show SMILES Nc1nc(N)c2nc(CN3CCN(Cc4ccc(cc4)-c4ccccc4)CC3)nnc2n1 Show InChI InChI=1S/C23H25N9/c24-21-20-22(28-23(25)27-21)30-29-19(26-20)15-32-12-10-31(11-13-32)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9H,10-15H2,(H4,24,25,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of Protein-tyrosine phosphatase 1B in 300 nM DTT |
Bioorg Med Chem Lett 13: 2895-8 (2003)
BindingDB Entry DOI: 10.7270/Q21V5DDS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50135663
(3-(4-Biphenyl-4-ylmethyl-piperazin-1-ylmethyl)-pyr...)Show SMILES Nc1nc(N)c2nc(CN3CCN(Cc4ccc(cc4)-c4ccccc4)CC3)nnc2n1 Show InChI InChI=1S/C23H25N9/c24-21-20-22(28-23(25)27-21)30-29-19(26-20)15-32-12-10-31(11-13-32)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9H,10-15H2,(H4,24,25,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of Protein-tyrosine phosphatase 1B in 300 nM DTT |
Bioorg Med Chem Lett 13: 2895-8 (2003)
BindingDB Entry DOI: 10.7270/Q21V5DDS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50135667
(3-(4-Naphthalen-2-ylmethyl-piperazin-1-ylmethyl)-p...)Show SMILES Nc1nc(N)c2nc(CN3CCN(Cc4ccc5ccccc5c4)CC3)nnc2n1 Show InChI InChI=1S/C21H23N9/c22-19-18-20(26-21(23)25-19)28-27-17(24-18)13-30-9-7-29(8-10-30)12-14-5-6-15-3-1-2-4-16(15)11-14/h1-6,11H,7-10,12-13H2,(H4,22,23,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of Protein-tyrosine phosphatase 1B in 300 nM DTT |
Bioorg Med Chem Lett 13: 2895-8 (2003)
BindingDB Entry DOI: 10.7270/Q21V5DDS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50135670
(3-(4-Naphthalen-1-ylmethyl-piperazin-1-ylmethyl)-p...)Show SMILES Nc1nc(N)c2nc(CN3CCN(Cc4cccc5ccccc45)CC3)nnc2n1 Show InChI InChI=1S/C21H23N9/c22-19-18-20(26-21(23)25-19)28-27-17(24-18)13-30-10-8-29(9-11-30)12-15-6-3-5-14-4-1-2-7-16(14)15/h1-7H,8-13H2,(H4,22,23,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of Protein-tyrosine phosphatase 1B in 300 nM DTT |
Bioorg Med Chem Lett 13: 2895-8 (2003)
BindingDB Entry DOI: 10.7270/Q21V5DDS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50135663
(3-(4-Biphenyl-4-ylmethyl-piperazin-1-ylmethyl)-pyr...)Show SMILES Nc1nc(N)c2nc(CN3CCN(Cc4ccc(cc4)-c4ccccc4)CC3)nnc2n1 Show InChI InChI=1S/C23H25N9/c24-21-20-22(28-23(25)27-21)30-29-19(26-20)15-32-12-10-31(11-13-32)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9H,10-15H2,(H4,24,25,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against Tyrosine phosphatase SHP-2 in the presence of 300 nM DTT |
Bioorg Med Chem Lett 13: 2895-8 (2003)
BindingDB Entry DOI: 10.7270/Q21V5DDS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50135668
(3-(4-Benzyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][...)Show InChI InChI=1S/C17H21N9/c18-15-14-16(22-17(19)21-15)24-23-13(20-14)11-26-8-6-25(7-9-26)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H4,18,19,21,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of Protein-tyrosine phosphatase 1B in 300 nM DTT |
Bioorg Med Chem Lett 13: 2895-8 (2003)
BindingDB Entry DOI: 10.7270/Q21V5DDS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50135668
(3-(4-Benzyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][...)Show InChI InChI=1S/C17H21N9/c18-15-14-16(22-17(19)21-15)24-23-13(20-14)11-26-8-6-25(7-9-26)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H4,18,19,21,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of Protein-tyrosine phosphatase 1B in 300 nM DTT |
Bioorg Med Chem Lett 13: 2895-8 (2003)
BindingDB Entry DOI: 10.7270/Q21V5DDS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50135668
(3-(4-Benzyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][...)Show InChI InChI=1S/C17H21N9/c18-15-14-16(22-17(19)21-15)24-23-13(20-14)11-26-8-6-25(7-9-26)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H4,18,19,21,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against Tyrosine phosphatase SHP-2 in the presence of 300 nM DTT |
Bioorg Med Chem Lett 13: 2895-8 (2003)
BindingDB Entry DOI: 10.7270/Q21V5DDS |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase F
(Homo sapiens (Human)) | BDBM50135668
(3-(4-Benzyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][...)Show InChI InChI=1S/C17H21N9/c18-15-14-16(22-17(19)21-15)24-23-13(20-14)11-26-8-6-25(7-9-26)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H4,18,19,21,22,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against Leukocyte antigen related receptor phosphatase (LAR) in the presence of 300 nM DTT |
Bioorg Med Chem Lett 13: 2895-8 (2003)
BindingDB Entry DOI: 10.7270/Q21V5DDS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50135673
(3-Diethylaminomethyl-pyrimido[5,4-e][1,2,4]triazin...)Show InChI InChI=1S/C10H16N8/c1-3-18(4-2)5-6-13-7-8(11)14-10(12)15-9(7)17-16-6/h3-5H2,1-2H3,(H4,11,12,14,15,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against Tyrosine phosphatase SHP-2 in the presence of 300 nM DTT |
Bioorg Med Chem Lett 13: 2895-8 (2003)
BindingDB Entry DOI: 10.7270/Q21V5DDS |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase alpha
(Homo sapiens (Human)) | BDBM50135663
(3-(4-Biphenyl-4-ylmethyl-piperazin-1-ylmethyl)-pyr...)Show SMILES Nc1nc(N)c2nc(CN3CCN(Cc4ccc(cc4)-c4ccccc4)CC3)nnc2n1 Show InChI InChI=1S/C23H25N9/c24-21-20-22(28-23(25)27-21)30-29-19(26-20)15-32-12-10-31(11-13-32)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9H,10-15H2,(H4,24,25,27,28,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against Protein-tyrosine phosphatase alpha in the presence of 300 nM DTT |
Bioorg Med Chem Lett 13: 2895-8 (2003)
BindingDB Entry DOI: 10.7270/Q21V5DDS |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase F
(Homo sapiens (Human)) | BDBM50135663
(3-(4-Biphenyl-4-ylmethyl-piperazin-1-ylmethyl)-pyr...)Show SMILES Nc1nc(N)c2nc(CN3CCN(Cc4ccc(cc4)-c4ccccc4)CC3)nnc2n1 Show InChI InChI=1S/C23H25N9/c24-21-20-22(28-23(25)27-21)30-29-19(26-20)15-32-12-10-31(11-13-32)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9H,10-15H2,(H4,24,25,27,28,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against Leukocyte antigen related receptor phosphatase (LAR) in the presence of 300 nM DTT |
Bioorg Med Chem Lett 13: 2895-8 (2003)
BindingDB Entry DOI: 10.7270/Q21V5DDS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50135663
(3-(4-Biphenyl-4-ylmethyl-piperazin-1-ylmethyl)-pyr...)Show SMILES Nc1nc(N)c2nc(CN3CCN(Cc4ccc(cc4)-c4ccccc4)CC3)nnc2n1 Show InChI InChI=1S/C23H25N9/c24-21-20-22(28-23(25)27-21)30-29-19(26-20)15-32-12-10-31(11-13-32)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9H,10-15H2,(H4,24,25,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of Protein-tyrosine phosphatase 1B in 2 mM DTT |
Bioorg Med Chem Lett 13: 2895-8 (2003)
BindingDB Entry DOI: 10.7270/Q21V5DDS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50135672
(3-(4-Methyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][...)Show InChI InChI=1S/C11H17N9/c1-19-2-4-20(5-3-19)6-7-14-8-9(12)15-11(13)16-10(8)18-17-7/h2-6H2,1H3,(H4,12,13,15,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of Protein-tyrosine phosphatase 1B in 300 nM DTT |
Bioorg Med Chem Lett 13: 2895-8 (2003)
BindingDB Entry DOI: 10.7270/Q21V5DDS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50135669
(3-Piperidin-1-ylmethyl-pyrimido[5,4-e][1,2,4]triaz...)Show InChI InChI=1S/C11H16N8/c12-9-8-10(16-11(13)15-9)18-17-7(14-8)6-19-4-2-1-3-5-19/h1-6H2,(H4,12,13,15,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of Protein-tyrosine phosphatase 1B in 300 nM DTT |
Bioorg Med Chem Lett 13: 2895-8 (2003)
BindingDB Entry DOI: 10.7270/Q21V5DDS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50135664
(3-Morpholin-4-ylmethyl-pyrimido[5,4-e][1,2,4]triaz...)Show InChI InChI=1S/C10H14N8O/c11-8-7-9(15-10(12)14-8)17-16-6(13-7)5-18-1-3-19-4-2-18/h1-5H2,(H4,11,12,14,15,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of Protein-tyrosine phosphatase 1B in 2 mM DTT |
Bioorg Med Chem Lett 13: 2895-8 (2003)
BindingDB Entry DOI: 10.7270/Q21V5DDS |
More data for this
Ligand-Target Pair | |
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