Found 218 hits with Last Name = 'fujioka' and Initial = 'y' 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 |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182758
(CHEMBL3819243)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1ncccc1=O |r| Show InChI InChI=1S/C16H17ClFN3O2.ClH/c17-13-4-3-11(8-14(13)18)16-12(9-19-6-7-23-16)10-21-15(22)2-1-5-20-21;/h1-5,8,12,16,19H,6-7,9-10H2;1H/t12-,16-;/m0./s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0650 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182757
(CHEMBL3819201)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1ccccc1=O |r| Show InChI InChI=1S/C17H18ClFN2O2.ClH/c18-14-5-4-12(9-15(14)19)17-13(10-20-6-8-23-17)11-21-7-2-1-3-16(21)22;/h1-5,7,9,13,17,20H,6,8,10-11H2;1H/t13-,17-;/m0./s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0790 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182755
(CHEMBL3818117)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CN1CCCNC1=O |r| Show InChI InChI=1S/C16H21ClFN3O2.ClH/c17-13-3-2-11(8-14(13)18)15-12(9-19-5-7-23-15)10-21-6-1-4-20-16(21)22;/h2-3,8,12,15,19H,1,4-7,9-10H2,(H,20,22);1H/t12-,15-;/m0./s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182754
(CHEMBL3817915)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CN1CCCCC1=O |r| Show InChI InChI=1S/C17H22ClFN2O2.ClH/c18-14-5-4-12(9-15(14)19)17-13(10-20-6-8-23-17)11-21-7-2-1-3-16(21)22;/h4-5,9,13,17,20H,1-3,6-8,10-11H2;1H/t13-,17-;/m0./s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182753
(CHEMBL3818953)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CN1CCCC1=O |r| Show InChI InChI=1S/C16H20ClFN2O2.ClH/c17-13-4-3-11(8-14(13)18)16-12(9-19-5-7-22-16)10-20-6-1-2-15(20)21;/h3-4,8,12,16,19H,1-2,5-7,9-10H2;1H/t12-,16-;/m0./s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182763
(CHEMBL3818901)Show SMILES Cl.COC(=O)c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O |r| Show InChI InChI=1S/C19H20ClFN2O4.ClH/c1-26-19(25)14-3-2-7-23(18(14)24)11-13-10-22-6-8-27-17(13)12-4-5-15(20)16(21)9-12;/h2-5,7,9,13,17,22H,6,8,10-11H2,1H3;1H/t13-,17-;/m0./s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50558220
(CHEMBL4791288)Show SMILES Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.05.038 BindingDB Entry DOI: 10.7270/Q24B350H |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182762
(CHEMBL3818471)Show SMILES Cl.Cc1nnc([nH]1)-c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O |r| Show InChI InChI=1S/C20H21ClFN5O2.ClH/c1-12-24-19(26-25-12)15-3-2-7-27(20(15)28)11-14-10-23-6-8-29-18(14)13-4-5-16(21)17(22)9-13;/h2-5,7,9,14,18,23H,6,8,10-11H2,1H3,(H,24,25,26);1H/t14-,18-;/m0./s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182761
(CHEMBL3818345)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cccc(-c2noc(=O)[nH]2)c1=O |r| Show InChI InChI=1S/C19H18ClFN4O4.ClH/c20-14-4-3-11(8-15(14)21)16-12(9-22-5-7-28-16)10-25-6-1-2-13(18(25)26)17-23-19(27)29-24-17;/h1-4,6,8,12,16,22H,5,7,9-10H2,(H,23,24,27);1H/t12-,16-;/m0./s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182759
(CHEMBL3819441)Show SMILES Cl.OC(=O)c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O |r| Show InChI InChI=1S/C18H18ClFN2O4.ClH/c19-14-4-3-11(8-15(14)20)16-12(9-21-5-7-26-16)10-22-6-1-2-13(17(22)23)18(24)25;/h1-4,6,8,12,16,21H,5,7,9-10H2,(H,24,25);1H/t12-,16-;/m0./s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50558224
(CHEMBL4753874)Show SMILES Cl.COCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.05.038 BindingDB Entry DOI: 10.7270/Q24B350H |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182760
(CHEMBL3818946)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cccc(-c2nnn[nH]2)c1=O |r| Show InChI InChI=1S/C18H18ClFN6O2.ClH/c19-14-4-3-11(8-15(14)20)16-12(9-21-5-7-28-16)10-26-6-1-2-13(18(26)27)17-22-24-25-23-17;/h1-4,6,8,12,16,21H,5,7,9-10H2,(H,22,23,24,25);1H/t12-,16-;/m0./s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50558221
(CHEMBL4754287)Show SMILES Cl.CCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.05.038 BindingDB Entry DOI: 10.7270/Q24B350H |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50558223
(CHEMBL4761826)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CNC(=O)c1ccccc1 |r| | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.05.038 BindingDB Entry DOI: 10.7270/Q24B350H |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182764
(CHEMBL3819009)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1ccc(cc1=O)-c1noc(=O)[nH]1 |r| Show InChI InChI=1S/C19H18ClFN4O4.ClH/c20-14-2-1-11(7-15(14)21)17-13(9-22-4-6-28-17)10-25-5-3-12(8-16(25)26)18-23-19(27)29-24-18;/h1-3,5,7-8,13,17,22H,4,6,9-10H2,(H,23,24,27);1H/t13-,17-;/m0./s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098410
(CHEMBL3593402)Show SMILES Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C14H18ClFN2O2/c1-9(19)18-8-11-7-17-4-5-20-14(11)10-2-3-12(15)13(16)6-10/h2-3,6,11,14,17H,4-5,7-8H2,1H3,(H,18,19)/t11-,14-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50558222
(CHEMBL4777709)Show SMILES Cl.CCCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.05.038 BindingDB Entry DOI: 10.7270/Q24B350H |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50558214
(CHEMBL4792902)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CNC(=O)C1COCCO1 |r| | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.05.038 BindingDB Entry DOI: 10.7270/Q24B350H |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376962
(US10329300, Example 50 | US11696917, Example 50 | ...)Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1F Show InChI InChI=1S/C24H26ClFN8O3/c1-4-16(35)33-9-5-6-14(11-33)34-23-18(22(27)28-12-29-23)21(31-34)24(37)30-15-8-7-13(20(26)19(15)25)10-17(36)32(2)3/h4,7-8,12,14H,1,5-6,9-11H2,2-3H3,(H,30,37)(H2,27,28,29)/t14-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50558225
(CHEMBL4752093)Show SMILES Cl.COCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 |r| | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.05.038 BindingDB Entry DOI: 10.7270/Q24B350H |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50558218
(CHEMBL4745694)Show SMILES Cl.CCOCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 |r| | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.05.038 BindingDB Entry DOI: 10.7270/Q24B350H |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50558216
(CHEMBL4741247)Show SMILES Cl.[2H]C([2H])([2H])OCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 |r| | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.05.038 BindingDB Entry DOI: 10.7270/Q24B350H |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50558226
(CHEMBL4762373)Show SMILES Cl.COCCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 |r| | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.05.038 BindingDB Entry DOI: 10.7270/Q24B350H |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376933
(US10329300, Example 27 | US11696917, Example 27 | ...)Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1 Show InChI InChI=1S/C23H25ClN8O4/c1-4-17(33)31-9-5-6-13(11-31)32-21-18(20(25)26-12-27-21)19(29-32)22(34)28-16-8-7-14(10-15(16)24)36-23(35)30(2)3/h4,7-8,10,12-13H,1,5-6,9,11H2,2-3H3,(H,28,34)(H2,25,26,27)/t13-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376912
(US10329300, Example 6 | US11696917, Example 6 | US...)Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1 Show InChI InChI=1S/C24H27ClN8O3/c1-4-18(34)32-9-5-6-15(12-32)33-23-20(22(26)27-13-28-23)21(30-33)24(36)29-17-8-7-14(10-16(17)25)11-19(35)31(2)3/h4,7-8,10,13,15H,1,5-6,9,11-12H2,2-3H3,(H,29,36)(H2,26,27,28)/t15-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376924
(US10329300, Example 18 | US11696917, Example 18 | ...)Show SMILES CN(C)C(=O)Cc1cc(Cl)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1F Show InChI InChI=1S/C24H26ClFN8O3/c1-4-18(35)33-7-5-6-14(11-33)34-23-20(22(27)28-12-29-23)21(31-34)24(37)30-17-10-16(26)13(8-15(17)25)9-19(36)32(2)3/h4,8,10,12,14H,1,5-7,9,11H2,2-3H3,(H,30,37)(H2,27,28,29)/t14-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376920
(US10329300, Example 14 | US11696917, Example 14 | ...)Show SMILES COc1c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)ccc(CC(=O)N(C)C)c1F Show InChI InChI=1S/C25H29FN8O4/c1-5-17(35)33-10-6-7-15(12-33)34-24-19(23(27)28-13-29-24)21(31-34)25(37)30-16-9-8-14(11-18(36)32(2)3)20(26)22(16)38-4/h5,8-9,13,15H,1,6-7,10-12H2,2-4H3,(H,30,37)(H2,27,28,29)/t15-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50558217
(CHEMBL4758692)Show SMILES Cl.CC(C)OCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 |r| | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.05.038 BindingDB Entry DOI: 10.7270/Q24B350H |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376988
(US10329300, Example 76 | US11696917, Example 76 | ...)Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CC(F)CN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1 Show InChI InChI=1S/C24H26ClFN8O3/c1-4-18(35)33-10-14(26)9-15(11-33)34-23-20(22(27)28-12-29-23)21(31-34)24(37)30-17-6-5-13(7-16(17)25)8-19(36)32(2)3/h4-7,12,14-15H,1,8-11H2,2-3H3,(H,30,37)(H2,27,28,29)/t14?,15-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50558215
(CHEMBL4754191)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CNC(=O)C1CCCO1 |r| | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.05.038 BindingDB Entry DOI: 10.7270/Q24B350H |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376948
(US10329300, Example 36 | US11696917, Example 36 | ...)Show SMILES COc1cc(OC(=O)N(C)C)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C24H28N8O5/c1-5-18(33)31-10-6-7-14(12-31)32-22-19(21(25)26-13-27-22)20(29-32)23(34)28-16-9-8-15(11-17(16)36-4)37-24(35)30(2)3/h5,8-9,11,13-14H,1,6-7,10,12H2,2-4H3,(H,28,34)(H2,25,26,27)/t14-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376923
(US10329300, Example 17 | US11696917, Example 17 | ...)Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Br)c1 Show InChI InChI=1S/C24H27BrN8O3/c1-4-18(34)32-9-5-6-15(12-32)33-23-20(22(26)27-13-28-23)21(30-33)24(36)29-17-8-7-14(10-16(17)25)11-19(35)31(2)3/h4,7-8,10,13,15H,1,5-6,9,11-12H2,2-3H3,(H,29,36)(H2,26,27,28)/t15-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376945
((R)-4-(1-(1-acryloylpiperidin-3-yl)-4-amino-1H-pyr...)Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12 Show InChI InChI=1S/C27H28N8O4/c1-4-21(36)34-13-7-8-16(14-34)35-25-22(24(28)29-15-30-25)23(32-35)26(37)31-19-11-12-20(39-27(38)33(2)3)18-10-6-5-9-17(18)19/h4-6,9-12,15-16H,1,7-8,13-14H2,2-3H3,(H,31,37)(H2,28,29,30)/t16-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376941
(US10329300, Example 29 | US11696917, Example 29 | ...)Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl Show InChI InChI=1S/C23H25ClN8O4/c1-4-17(33)31-9-5-6-14(11-31)32-21-18(20(25)26-12-27-21)19(29-32)22(34)28-13-7-8-16(15(24)10-13)36-23(35)30(2)3/h4,7-8,10,12,14H,1,5-6,9,11H2,2-3H3,(H,28,34)(H2,25,26,27)/t14-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376932
(US10329300, Example 26 | US11696917, Example 26 | ...)Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1 Show InChI InChI=1S/C24H28N8O4/c1-5-18(33)31-10-6-7-15(12-31)32-22-19(21(25)26-13-27-22)20(29-32)23(34)28-17-9-8-16(11-14(17)2)36-24(35)30(3)4/h5,8-9,11,13,15H,1,6-7,10,12H2,2-4H3,(H,28,34)(H2,25,26,27)/t15-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM608402
(US11696917, Example 3)Show SMILES CN(C)C(=O)Cc1ccc(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1C | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376913
(US10329300, Example 7 | US11696917, Example 7 | US...)Show SMILES COc1cc(CC(=O)N(C)C)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C25H30N8O4/c1-5-19(34)32-10-6-7-16(13-32)33-24-21(23(26)27-14-28-24)22(30-33)25(36)29-17-9-8-15(11-18(17)37-4)12-20(35)31(2)3/h5,8-9,11,14,16H,1,6-7,10,12-13H2,2-4H3,(H,29,36)(H2,26,27,28)/t16-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376917
(US10329300, Example 11 | US11696917, Example 11 | ...)Show SMILES COc1c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)ccc(CC(=O)N(C)C)c1Cl Show InChI InChI=1S/C25H29ClN8O4/c1-5-17(35)33-10-6-7-15(12-33)34-24-19(23(27)28-13-29-24)21(31-34)25(37)30-16-9-8-14(11-18(36)32(2)3)20(26)22(16)38-4/h5,8-9,13,15H,1,6-7,10-12H2,2-4H3,(H,30,37)(H2,27,28,29)/t15-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376918
(US10329300, Example 12 | US11696917, Example 12 | ...)Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1F Show InChI InChI=1S/C25H29FN8O3/c1-5-18(35)33-10-6-7-16(12-33)34-24-20(23(27)28-13-29-24)22(31-34)25(37)30-17-9-8-15(21(26)14(17)2)11-19(36)32(3)4/h5,8-9,13,16H,1,6-7,10-12H2,2-4H3,(H,30,37)(H2,27,28,29)/t16-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM608469
(US11696917, Example 68)Show SMILES CN(c1ccccc1)c1ccc(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM608401
(US11696917, Example 2)Show SMILES CN(C)C(=O)Cc1cc(Cl)c(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376960
(US10329300, Example 48 | US11696917, Example 48 | ...)Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C=C)c1 Show InChI InChI=1S/C26H30N8O3/c1-5-17-12-16(13-21(36)32(3)4)9-10-19(17)30-26(37)23-22-24(27)28-15-29-25(22)34(31-23)18-8-7-11-33(14-18)20(35)6-2/h5-6,9-10,12,15,18H,1-2,7-8,11,13-14H2,3-4H3,(H,30,37)(H2,27,28,29)/t18-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376921
(US10329300, Example 15 | US11696917, Example 15 | ...)Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(OC(F)F)c1 Show InChI InChI=1S/C25H28F2N8O4/c1-4-18(36)34-9-5-6-15(12-34)35-23-20(22(28)29-13-30-23)21(32-35)24(38)31-16-8-7-14(11-19(37)33(2)3)10-17(16)39-25(26)27/h4,7-8,10,13,15,25H,1,5-6,9,11-12H2,2-3H3,(H,31,38)(H2,28,29,30)/t15-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376942
(US10329300, Example 30 | US11696917, Example 30 | ...)Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C Show InChI InChI=1S/C24H28N8O4/c1-5-18(33)31-10-6-7-16(12-31)32-22-19(21(25)26-13-27-22)20(29-32)23(34)28-15-8-9-17(14(2)11-15)36-24(35)30(3)4/h5,8-9,11,13,16H,1,6-7,10,12H2,2-4H3,(H,28,34)(H2,25,26,27)/t16-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50558227
(CHEMBL4762043)Show SMILES Cl.COC(C)C(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 |r| | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.05.038 BindingDB Entry DOI: 10.7270/Q24B350H |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376981
(US11696917, Example 69 | US9920060, 69)Show SMILES Cc1cc(OC(=O)N2CCCC2)ccc1NC(=O)c1nn(N2CC=CN(C2)C(=O)C=C)c2ncnc(N)c12 |c:25| Show InChI InChI=1S/C25H27N9O4/c1-3-19(35)32-11-6-12-33(15-32)34-23-20(22(26)27-14-28-23)21(30-34)24(36)29-18-8-7-17(13-16(18)2)38-25(37)31-9-4-5-10-31/h3,6-8,11,13-14H,1,4-5,9-10,12,15H2,2H3,(H,29,36)(H2,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376914
(US10329300, Example 8 | US11696917, Example 8 | US...)Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl Show InChI InChI=1S/C24H27ClN8O3/c1-4-18(34)32-9-5-6-16(12-32)33-23-20(22(26)27-13-28-23)21(30-33)24(36)29-15-8-7-14(17(25)11-15)10-19(35)31(2)3/h4,7-8,11,13,16H,1,5-6,9-10,12H2,2-3H3,(H,29,36)(H2,26,27,28)/t16-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50163480
(CHEMBL3792707)Show SMILES Cn1c(nc2ccc(cc12)-n1ccc(OCc2csc(Cl)c2)cc1=O)C1CC1 Show InChI InChI=1S/C21H18ClN3O2S/c1-24-18-9-15(4-5-17(18)23-21(24)14-2-3-14)25-7-6-16(10-20(25)26)27-11-13-8-19(22)28-12-13/h4-10,12,14H,2-3,11H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description Displacement of [125I]-MCH(4-19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting |
Bioorg Med Chem 24: 2486-503 (2016)
Article DOI: 10.1016/j.bmc.2016.04.011 BindingDB Entry DOI: 10.7270/Q2862JB1 |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376944
(US10329300, Example 32 | US11696917, Example 32 | ...)Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C Show InChI InChI=1S/C25H30N8O4/c1-6-19(34)32-11-7-8-16(12-32)33-23-20(22(26)27-13-28-23)21(30-33)24(35)29-17-9-10-18(15(3)14(17)2)37-25(36)31(4)5/h6,9-10,13,16H,1,7-8,11-12H2,2-5H3,(H,29,35)(H2,26,27,28)/t16-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM376982
(US11696917, Example 70 | US9920060, 70)Show SMILES Cc1cc(OC(=O)N2CCCCC2)ccc1NC(=O)c1nn(N2CC=CN(C2)C(=O)C=C)c2ncnc(N)c12 |c:26| Show InChI InChI=1S/C26H29N9O4/c1-3-20(36)33-12-7-13-34(16-33)35-24-21(23(27)28-15-29-24)22(31-35)25(37)30-19-9-8-18(14-17(19)2)39-26(38)32-10-5-4-6-11-32/h3,7-9,12,14-15H,1,4-6,10-11,13,16H2,2H3,(H,30,37)(H2,27,28,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F193VV |
More data for this Ligand-Target Pair | |