Found 1190 hits with Last Name = 'khan' and Initial = 'n' 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 |
|---|
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM78940
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3 | PDB
Reactome pathway
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MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by PDSP Ki Database
| |
J Neurochem 66: 47-56 (1996)
Article DOI: 10.1046/j.1471-4159.1996.66010047.x
BindingDB Entry DOI: 10.7270/Q20K2721 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Rattus norvegicus (rat)) | BDBM50304157
(3-(2-Thienyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydr...)Show InChI InChI=1S/C12H15N3S2/c13-12(16)15-11(10-6-3-7-17-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,16) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically |
Bioorg Med Chem 17: 6761-72 (2009)
Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Rattus norvegicus (rat)) | BDBM50304152
(3-(2-Furyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydro-...)Show InChI InChI=1S/C12H15N3OS/c13-12(17)15-11(10-6-3-7-16-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,17) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically |
Bioorg Med Chem 17: 6761-72 (2009)
Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50557361
(CHEMBL4761363)Show SMILES COc1cccc(\C=C\C(=N/NC(=O)Cn2c3ccccc3oc2=O)\c2ccccc2)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50557339
(CHEMBL4748517)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1Cl)C(=O)Cn1c2ccccc2oc1=O |t:9| | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50557360
(CHEMBL4787516)Show SMILES O=C(Cn1c2ccccc2oc1=O)N\N=C(/C=C/c1ccccc1)\c1ccccc1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50557368
(CHEMBL4762228)Show SMILES COc1ccccc1\C(\C=C\c1ccccc1Cl)=N\NC(=O)Cn1c2cc(Cl)ccc2oc1=O | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50557366
(CHEMBL4787184)Show SMILES COc1ccccc1\C=C\C(=N/NC(=O)Cn1c2cc(Cl)ccc2oc1=O)\c1ccccc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50557363
(CHEMBL4757953)Show SMILES COc1ccc(cc1)\C(\C=C\c1ccccc1Cl)=N\NC(=O)Cn1c2ccccc2oc1=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337403
(CHEMBL1682668 | methyl 1-(((1R,2S)-2-(benzyl(methy...)Show SMILES COC(=O)NC1(CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H35Cl2N3O3/c1-36(21-23-9-5-3-6-10-23)29(38)32(25-13-14-27(33)28(34)19-25)20-26(32)22-37-17-15-31(16-18-37,35-30(39)40-2)24-11-7-4-8-12-24/h3-14,19,26H,15-18,20-22H2,1-2H3,(H,35,39)/t26-,32+/m0/s1 | PDB
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UniChem
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PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM22872
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3 | PDB
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CHEMBL
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| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by PDSP Ki Database
| |
J Neurochem 66: 47-56 (1996)
Article DOI: 10.1046/j.1471-4159.1996.66010047.x
BindingDB Entry DOI: 10.7270/Q20K2721 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337411
((1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-...)Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C29H35Cl2FN4O2/c1-33(18-21-4-7-24(32)8-5-21)28(38)29(22-6-9-25(30)26(31)16-22)17-23(29)19-34-12-14-35(15-13-34)20-27(37)36-10-2-3-11-36/h4-9,16,23H,2-3,10-15,17-20H2,1H3/t23-,29+/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337418
((1S,2R)-1-(3,4-dichlorophenyl)-2-((3-(4-(N,N-dimet...)Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)C1CN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C28H36Cl2FN5O3S/c1-32(2)40(38,39)36-12-10-35(11-13-36)24-18-34(19-24)17-22-15-28(22,21-6-9-25(29)26(30)14-21)27(37)33(3)16-20-4-7-23(31)8-5-20/h4-9,14,22,24H,10-13,15-19H2,1-3H3/t22-,28+/m0/s1 | PDB
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UniChem
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| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM22872
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3 | PDB
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PC sid
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PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by PDSP Ki Database
| |
J Neurochem 66: 47-56 (1996)
Article DOI: 10.1046/j.1471-4159.1996.66010047.x
BindingDB Entry DOI: 10.7270/Q20K2721 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337404
((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-2-((4-(3,3...)Show SMILES CN(C)C(=O)NC1(CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C33H38Cl2N4O2/c1-37(2)31(41)36-32(25-12-8-5-9-13-25)16-18-39(19-17-32)23-27-21-33(27,26-14-15-28(34)29(35)20-26)30(40)38(3)22-24-10-6-4-7-11-24/h4-15,20,27H,16-19,21-23H2,1-3H3,(H,36,41)/t27-,33+/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337409
((1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-...)Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC1)C(=O)CN1CCOCC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C29H35Cl2FN4O3/c1-33(18-21-2-5-24(32)6-3-21)28(38)29(22-4-7-25(30)26(31)16-22)17-23(29)19-34-8-10-36(11-9-34)27(37)20-35-12-14-39-15-13-35/h2-7,16,23H,8-15,17-20H2,1H3/t23-,29+/m0/s1 | PDB
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337407
(CHEMBL1682672 | N1-(1-(((1R,2S)-2-(benzyl(methyl)c...)Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(N(C)C(=O)C(N)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C33H36Cl2N4O3/c1-37(21-23-9-5-3-6-10-23)31(42)33(25-13-14-27(34)28(35)19-25)20-26(33)22-39-17-15-32(16-18-39,24-11-7-4-8-12-24)38(2)30(41)29(36)40/h3-14,19,26H,15-18,20-22H2,1-2H3,(H2,36,40)/t26-,33+/m0/s1 | PDB
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UniChem
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| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337410
((1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-...)Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CCN2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C29H37Cl2FN4O2/c1-33(20-22-2-5-25(32)6-3-22)28(37)29(23-4-7-26(30)27(31)18-23)19-24(29)21-36-12-10-34(11-13-36)8-9-35-14-16-38-17-15-35/h2-7,18,24H,8-17,19-21H2,1H3/t24-,29+/m0/s1 | PDB
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50557330
(CHEMBL4794193)Show SMILES Cc1ccc(cc1)C1CC(=NN1C(=O)Cn1c2ccccc2oc1=O)c1ccccc1 |c:10| | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50557355
(CHEMBL4788778)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)Cn1c2cc(Cl)ccc2oc1=O |t:9| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50557362
(CHEMBL4764828)Show SMILES COc1ccccc1\C(\C=C\c1ccccc1Cl)=N\NC(=O)Cn1c2ccccc2oc1=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337401
((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2...)Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(N(C)C(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C33H37Cl2N3O2/c1-24(39)37(3)32(26-12-8-5-9-13-26)16-18-38(19-17-32)23-28-21-33(28,27-14-15-29(34)30(35)20-27)31(40)36(2)22-25-10-6-4-7-11-25/h4-15,20,28H,16-19,21-23H2,1-3H3/t28-,33+/m0/s1 | PDB
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| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Rattus norvegicus (rat)) | BDBM50304156
(3-(2-Furyl)-2-(N-phenyllthiocarbamoyl)-3,3a,4,5,6,...)Show InChI InChI=1S/C18H19N3OS/c23-18(19-13-7-2-1-3-8-13)21-17(16-11-6-12-22-16)14-9-4-5-10-15(14)20-21/h1-3,6-8,11-12,14,17H,4-5,9-10H2,(H,19,23) | PDB
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| 4.22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically |
Bioorg Med Chem 17: 6761-72 (2009)
Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337435
(CHEMBL1682637 | rac-2-((4-acetamido-4-phenylpiperi...)Show SMILES CN(Cc1ccc(cc1)C(F)(F)F)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H34Cl2F3N3O2/c1-22(42)39-31(24-6-4-3-5-7-24)14-16-41(17-15-31)21-27-19-32(27,26-12-13-28(34)29(35)18-26)30(43)40(2)20-23-8-10-25(11-9-23)33(36,37)38/h3-13,18,27H,14-17,19-21H2,1-2H3,(H,39,42) | PDB
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| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50029816
(5-Chloro-pyridine-2-carboxylic acid (2-amino-ethyl...)Show InChI InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13) | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50557341
(CHEMBL4744188)Show SMILES COc1cccc(c1)C1CC(=NN1C(=O)Cn1c2cc(C)ccc2oc1=O)c1ccccc1 |c:11| | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337425
(CHEMBL1682628 | rac-2-((4-acetamido-4-phenylpiperi...)Show SMILES CN(Cc1ccccc1C)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H37Cl2N3O2/c1-23-9-7-8-10-25(23)21-37(3)31(40)33(27-13-14-29(34)30(35)19-27)20-28(33)22-38-17-15-32(16-18-38,36-24(2)39)26-11-5-4-6-12-26/h4-14,19,28H,15-18,20-22H2,1-3H3,(H,36,39) | PDB
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| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Rattus norvegicus (rat)) | BDBM15613
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17) | PDB
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| 5.53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically |
Bioorg Med Chem 17: 6761-72 (2009)
Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337405
((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2...)Show SMILES CNC(=O)NC1(CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H36Cl2N4O2/c1-35-30(40)36-31(24-11-7-4-8-12-24)15-17-38(18-16-31)22-26-20-32(26,25-13-14-27(33)28(34)19-25)29(39)37(2)21-23-9-5-3-6-10-23/h3-14,19,26H,15-18,20-22H2,1-2H3,(H2,35,36,40)/t26-,32+/m0/s1 | PDB
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| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337416
((1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-...)Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC1)S(=O)(=O)N1CCCC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C27H33Cl2FN4O3S/c1-31(18-20-4-7-23(30)8-5-20)26(35)27(21-6-9-24(28)25(29)16-21)17-22(27)19-32-12-14-34(15-13-32)38(36,37)33-10-2-3-11-33/h4-9,16,22H,2-3,10-15,17-19H2,1H3/t22-,27+/m0/s1 | PDB
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PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337431
((1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)met...)Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C32H34Cl2FN3O2/c1-22(39)36-31(24-6-4-3-5-7-24)14-16-38(17-15-31)21-26-19-32(26,25-10-13-28(33)29(34)18-25)30(40)37(2)20-23-8-11-27(35)12-9-23/h3-13,18,26H,14-17,19-21H2,1-2H3,(H,36,39)/t26-,32+/m0/s1 | PDB
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| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337441
(CHEMBL1682643 | rac-2-((4-acetamido-4-phenylpiperi...)Show SMILES COc1ccc(CN(C)C(=O)C2(CC2CN2CCC(CC2)(NC(C)=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)c(OC)c1 Show InChI InChI=1S/C34H39Cl2N3O4/c1-23(40)37-33(25-8-6-5-7-9-25)14-16-39(17-15-33)22-27-20-34(27,26-11-13-29(35)30(36)18-26)32(41)38(2)21-24-10-12-28(42-3)19-31(24)43-4/h5-13,18-19,27H,14-17,20-22H2,1-4H3,(H,37,40) | PDB
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| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337421
((1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)met...)Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C32H35Cl2N3O2/c1-23(38)35-31(25-11-7-4-8-12-25)15-17-37(18-16-31)22-27-20-32(27,26-13-14-28(33)29(34)19-26)30(39)36(2)21-24-9-5-3-6-10-24/h3-14,19,27H,15-18,20-22H2,1-2H3,(H,35,38)/t27-,32+/m0/s1 | PDB
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| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337402
((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2...)Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(C(=O)N1CCCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H41Cl2N3O2/c1-39(25-27-11-5-2-6-12-27)34(43)36(29-15-16-31(37)32(38)23-29)24-30(36)26-40-21-17-35(18-22-40,28-13-7-3-8-14-28)33(42)41-19-9-4-10-20-41/h2-3,5-8,11-16,23,30H,4,9-10,17-22,24-26H2,1H3/t30-,36+/m0/s1 | PDB
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| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337413
((1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-...)Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC1)C(=O)CN1CCCCC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C30H37Cl2FN4O2/c1-34(19-22-5-8-25(33)9-6-22)29(39)30(23-7-10-26(31)27(32)17-23)18-24(30)20-36-13-15-37(16-14-36)28(38)21-35-11-3-2-4-12-35/h5-10,17,24H,2-4,11-16,18-21H2,1H3/t24-,30+/m0/s1 | PDB
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| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337397
((1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)met...)Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(C)c(C)c1 |r| Show InChI InChI=1S/C34H40FN3O2/c1-24-10-13-29(20-25(24)2)34(32(40)37(4)22-27-11-14-31(35)15-12-27)21-30(34)23-38-18-16-33(17-19-38,36-26(3)39)28-8-6-5-7-9-28/h5-15,20,30H,16-19,21-23H2,1-4H3,(H,36,39)/t30-,34+/m0/s1 | PDB
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| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337433
(CHEMBL1681797 | rac-2-((4-acetamido-4-phenylpiperi...)Show SMILES CN(Cc1ccc(C)cc1)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H37Cl2N3O2/c1-23-9-11-25(12-10-23)21-37(3)31(40)33(27-13-14-29(34)30(35)19-27)20-28(33)22-38-17-15-32(16-18-38,36-24(2)39)26-7-5-4-6-8-26/h4-14,19,28H,15-18,20-22H2,1-3H3,(H,36,39) | PDB
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| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337415
((1S,2R)-1-(3,4-dichlorophenyl)-2-((4-(N,N-dimethyl...)Show SMILES CN(C)S(=O)(=O)N1CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 |r| Show InChI InChI=1S/C25H31Cl2FN4O3S/c1-29(2)36(34,35)32-12-10-31(11-13-32)17-20-15-25(20,19-6-9-22(26)23(27)14-19)24(33)30(3)16-18-4-7-21(28)8-5-18/h4-9,14,20H,10-13,15-17H2,1-3H3/t20-,25+/m0/s1 | PDB
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| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337408
((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2...)Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NS(C)(=O)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C31H35Cl2N3O3S/c1-35(21-23-9-5-3-6-10-23)29(37)31(25-13-14-27(32)28(33)19-25)20-26(31)22-36-17-15-30(16-18-36,34-40(2,38)39)24-11-7-4-8-12-24/h3-14,19,26,34H,15-18,20-22H2,1-2H3/t26-,31+/m0/s1 | PDB
Reactome pathway
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UniChem
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| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50557331
(CHEMBL4740141)Show SMILES COc1cccc(c1)C1CC(=NN1C(=O)Cn1c2ccccc2oc1=O)c1ccccc1 |c:11| | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50557340
(CHEMBL4778941)Show SMILES Cc1ccc(cc1)C1CC(=NN1C(=O)Cn1c2cc(C)ccc2oc1=O)c1ccccc1 |c:10| | PDB
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TBA
| Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337417
((1S,2R)-2-((4-(2-(azepan-1-yl)acetyl)piperazin-1-y...)Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC1)C(=O)CN1CCCCCC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C31H39Cl2FN4O2/c1-35(20-23-6-9-26(34)10-7-23)30(40)31(24-8-11-27(32)28(33)18-24)19-25(31)21-37-14-16-38(17-15-37)29(39)22-36-12-4-2-3-5-13-36/h6-11,18,25H,2-5,12-17,19-22H2,1H3/t25-,31+/m0/s1 | PDB
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| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50557332
(CHEMBL4783604)Show SMILES COc1ccc(cc1OC)C1CC(=NN1C(=O)Cn1c2ccccc2oc1=O)c1ccccc1 |c:13| | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50557346
(CHEMBL4763998)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc(OC)c1OC)C(=O)Cn1c2cc(C)ccc2oc1=O |t:9| | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM22869
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3 | PDB
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| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by PDSP Ki Database
| |
J Neurochem 66: 47-56 (1996)
Article DOI: 10.1046/j.1471-4159.1996.66010047.x
BindingDB Entry DOI: 10.7270/Q20K2721 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50557367
(CHEMBL4753849)Show SMILES COc1ccc(cc1)\C(\C=C\c1cccc(OC)c1OC)=N\NC(=O)Cn1c2cc(Cl)ccc2oc1=O | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM82479
(CAS_132539-06-1 | NSC_4585 | OLANZAPINE | USRE4934...)Show SMILES CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by PDSP Ki Database
| |
J Neurochem 66: 47-56 (1996)
Article DOI: 10.1046/j.1471-4159.1996.66010047.x
BindingDB Entry DOI: 10.7270/Q20K2721 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50337432
(CHEMBL1682635 | rac-2-((4-acetamido-4-phenylpiperi...)Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H34Cl3N3O2/c1-22(39)36-31(24-6-4-3-5-7-24)14-16-38(17-15-31)21-26-19-32(26,25-10-13-28(34)29(35)18-25)30(40)37(2)20-23-8-11-27(33)12-9-23/h3-13,18,26H,14-17,19-21H2,1-2H3,(H,36,39) | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
Bioorg Med Chem Lett 21: 1498-501 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM84945
(CAS_122265 | ICI 169,369 | NSC_122265)Show InChI InChI=1S/C19H20N2S/c1-21(2)12-13-22-19-17(15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)20-19/h3-11,14H,12-13H2,1-2H3 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by PDSP Ki Database
| |
J Neurochem 66: 47-56 (1996)
Article DOI: 10.1046/j.1471-4159.1996.66010047.x
BindingDB Entry DOI: 10.7270/Q20K2721 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50557365
(CHEMBL4751649)Show SMILES COc1ccccc1\C(\C=C\c1ccccc1Cl)=N\NC(=O)Cn1c2cc(C)ccc2oc1=O | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Ample... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01504
BindingDB Entry DOI: 10.7270/Q2G44V06 |
More data for this
Ligand-Target Pair | |
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