Found 995 hits with Last Name = 'wu' and Initial = 'wl' 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 |
|---|
Metabotropic glutamate receptor 1
(RAT) | BDBM50224406
(9-(4-chlorophenyl)-2,3-dihydro-3(R)-methyl-1H-pyri...)Show SMILES C[C@@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c21 Show InChI InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane |
J Med Chem 50: 5550-3 (2007)
Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50224407
(2,3-dihydro-9-(4-methoxyphenyl)-3(R)-methyl-1H-pyr...)Show SMILES COc1ccc(cc1)-n1cnc2c(sc3ncc4O[C@H](C)CNc4c23)c1=O Show InChI InChI=1S/C19H16N4O3S/c1-10-7-20-15-13(26-10)8-21-18-14(15)16-17(27-18)19(24)23(9-22-16)11-3-5-12(25-2)6-4-11/h3-6,8-10,20H,7H2,1-2H3/t10-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane |
J Med Chem 50: 5550-3 (2007)
Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50364723
(CHEMBL1951662)Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12 Show InChI InChI=1S/C18H14BrN3OS/c1-21(2)14-7-9-20-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1 |
Bioorg Med Chem Lett 22: 1575-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50224391
(9-(4-chlorophenyl)-2,3-dihydro-1H-pyrimido[4'',5''...)Show InChI InChI=1S/C17H11ClN4O2S/c18-9-1-3-10(4-2-9)22-8-21-14-12-13-11(24-6-5-19-13)7-20-16(12)25-15(14)17(22)23/h1-4,7-8,19H,5-6H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane |
J Med Chem 50: 5550-3 (2007)
Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50224392
(9-(4-chlorophenyl)-2,3-dihydro-2(S)-methyl-1H-pyri...)Show SMILES C[C@H]1COc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c2N1 Show InChI InChI=1S/C18H13ClN4O2S/c1-9-7-25-12-6-20-17-13(14(12)22-9)15-16(26-17)18(24)23(8-21-15)11-4-2-10(19)3-5-11/h2-6,8-9,22H,7H2,1H3/t9-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane |
J Med Chem 50: 5550-3 (2007)
Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50224395
(2,3-dihydro-9-(4-methylphenyl)-1H-pyrimido[4'',5''...)Show InChI InChI=1S/C18H14N4O2S/c1-10-2-4-11(5-3-10)22-9-21-15-13-14-12(24-7-6-19-14)8-20-17(13)25-16(15)18(22)23/h2-5,8-9,19H,6-7H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane |
J Med Chem 50: 5550-3 (2007)
Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50224400
(2,3-dihydro-3(R)-methyl-9-(4-methylphenyl)-1H-pyri...)Show SMILES C[C@@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(C)cc4)c3=O)c21 Show InChI InChI=1S/C19H16N4O2S/c1-10-3-5-12(6-4-10)23-9-22-16-14-15-13(25-11(2)7-20-15)8-21-18(14)26-17(16)19(23)24/h3-6,8-9,11,20H,7H2,1-2H3/t11-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane |
J Med Chem 50: 5550-3 (2007)
Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186790
(4-(1-benzyl-piperidin-4-yl)-4-(3'-cyano-biphenyl-4...)Show SMILES Fc1ccc(NC(=O)CCC(C2CCN(Cc3ccccc3)CC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1F Show InChI InChI=1S/C35H33F2N3O/c36-33-15-13-31(22-34(33)37)39-35(41)16-14-32(29-17-19-40(20-18-29)24-25-5-2-1-3-6-25)28-11-9-27(10-12-28)30-8-4-7-26(21-30)23-38/h1-13,15,21-22,29,32H,14,16-20,24H2,(H,39,41) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50224405
(2,3-dihydro-9-(4-methoxyphenyl)-1H-pyrimido[4'',5'...)Show InChI InChI=1S/C18H14N4O3S/c1-24-11-4-2-10(3-5-11)22-9-21-15-13-14-12(25-7-6-19-14)8-20-17(13)26-16(15)18(22)23/h2-5,8-9,19H,6-7H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane |
J Med Chem 50: 5550-3 (2007)
Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50596254
(CHEMBL5198665)Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1)C#N |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128463
BindingDB Entry DOI: 10.7270/Q2988C2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50596252
(CHEMBL5190011)Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@@](C)(CF)C(=N)N1)C#N |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128463
BindingDB Entry DOI: 10.7270/Q2988C2N |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186811
(4a-(3'-cyano-biphenyl-4-yl)-N-(3,4-difluoro-phenyl...)Show SMILES Fc1ccc(NC(=O)CCC(C2CCNCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1F Show InChI InChI=1S/C28H27F2N3O/c29-26-10-8-24(17-27(26)30)33-28(34)11-9-25(22-12-14-32-15-13-22)21-6-4-20(5-7-21)23-3-1-2-19(16-23)18-31/h1-8,10,16-17,22,25,32H,9,11-15H2,(H,33,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50224396
(9-(4-chlorophenyl)-2,3-dihydro-3(S)-methyl-1H-pyri...)Show SMILES C[C@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c21 Show InChI InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane |
J Med Chem 50: 5550-3 (2007)
Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186824
(4'-[1-(5-fluoro-6-trifluoromethyl-1H-benzoimidazol...)Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C1(CC11CCNCC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C28H22F4N4/c29-22-14-24-23(13-21(22)28(30,31)32)35-25(36-24)27(16-26(27)8-10-34-11-9-26)20-6-4-18(5-7-20)19-3-1-2-17(12-19)15-33/h1-7,12-14,34H,8-11,16H2,(H,35,36) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3674-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50364720
(CHEMBL1951659)Show InChI InChI=1S/C19H17N3OS/c1-12-4-6-13(7-5-12)22-11-9-14-16-15(21(2)3)8-10-20-18(16)24-17(14)19(22)23/h4-11H,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1 |
Bioorg Med Chem Lett 22: 1575-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50364722
(CHEMBL1951661)Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc(Cl)cc4)c3=O)c12 Show InChI InChI=1S/C18H14ClN3OS/c1-21(2)14-7-9-20-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1 |
Bioorg Med Chem Lett 22: 1575-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50596248
(CHEMBL5194897)Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(CF)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128463
BindingDB Entry DOI: 10.7270/Q2988C2N |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186806
(2-[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)Show SMILES Clc1cc(Cl)cc(NC(=O)COC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C31H31Cl2N3O2/c32-26-17-27(33)19-28(18-26)35-30(37)21-38-31(12-14-36(15-13-31)29-6-1-2-7-29)25-10-8-23(9-11-25)24-5-3-4-22(16-24)20-34/h3-5,8-11,16-19,29H,1-2,6-7,12-15,21H2,(H,35,37) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50596253
(CHEMBL5203401)Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@](C)(CF)C(=N)N1)C#N |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128463
BindingDB Entry DOI: 10.7270/Q2988C2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50580216
(MK-8931 | SCH 900931 | SCH-900931 | SCH900931 | VE...)Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:3| | PDB
MMDB
KEGG
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MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128463
BindingDB Entry DOI: 10.7270/Q2988C2N |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50224402
(8-(4-chlorophenyl)-1h-pyrrolo[2'',3'':4',5']pyrido...)Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O Show InChI InChI=1S/C17H9ClN4OS/c18-10-1-3-11(4-2-10)22-8-21-14-12-13-9(5-6-19-13)7-20-16(12)24-15(14)17(22)23/h1-8,19H | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane |
J Med Chem 50: 5550-3 (2007)
Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170617
(1-(3'-cyano-biphenyl-4-yl)-1-(1-cyclopentyl-piperi...)Show SMILES Clc1cc(Cl)cc(NC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C30H30Cl2N4O/c31-24-17-25(32)19-26(18-24)34-30(37)36(29-12-14-35(15-13-29)27-6-1-2-7-27)28-10-8-22(9-11-28)23-5-3-4-21(16-23)20-33/h3-5,8-11,16-19,27,29H,1-2,6-7,12-15H2,(H,34,37) | Reactome pathway
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3674-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169389
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)Show SMILES Clc1cc(Cl)cc(NC(=O)NCC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C31H32Cl2N4O/c32-26-17-27(33)19-28(18-26)36-30(38)35-21-31(12-14-37(15-13-31)29-6-1-2-7-29)25-10-8-23(9-11-25)24-5-3-4-22(16-24)20-34/h3-5,8-11,16-19,29H,1-2,6-7,12-15,21H2,(H2,35,36,38) | Reactome pathway
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186801
(2-[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)Show SMILES Clc1cc(Cl)cc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C31H32Cl2N4O/c32-26-17-27(33)19-28(18-26)36-30(38)21-35-31(12-14-37(15-13-31)29-6-1-2-7-29)25-10-8-23(9-11-25)24-5-3-4-22(16-24)20-34/h3-5,8-11,16-19,29,35H,1-2,6-7,12-15,21H2,(H,36,38) | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50596255
(CHEMBL5195553)Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@](C)(C(F)F)C(=N)N1)C#N |r| | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128463
BindingDB Entry DOI: 10.7270/Q2988C2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50596250
(CHEMBL5204704)Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r| | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128463
BindingDB Entry DOI: 10.7270/Q2988C2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50596249
(CHEMBL5170892)Show SMILES C[C@]1(CS(=O)(=O)[C@](C)(CF)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r| | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128463
BindingDB Entry DOI: 10.7270/Q2988C2N |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186792
(CHEMBL210715 | N-(3-chloro-4-fluoro-phenyl)-2-[4-(...)Show SMILES Fc1ccc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1Cl Show InChI InChI=1S/C31H32ClFN4O/c32-28-19-26(12-13-29(28)33)36-30(38)21-35-31(14-16-37(17-15-31)27-6-1-2-7-27)25-10-8-23(9-11-25)24-5-3-4-22(18-24)20-34/h3-5,8-13,18-19,27,35H,1-2,6-7,14-17,21H2,(H,36,38) | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186770
(2-[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)Show SMILES Fc1cc(F)cc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C31H32F2N4O/c32-26-17-27(33)19-28(18-26)36-30(38)21-35-31(12-14-37(15-13-31)29-6-1-2-7-29)25-10-8-23(9-11-25)24-5-3-4-22(16-24)20-34/h3-5,8-11,16-19,29,35H,1-2,6-7,12-15,21H2,(H,36,38) | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM209918
(US9273042, 7 | US9556135, 17)Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:30| Show InChI InChI=1S/C19H22FN5O4S/c1-18(2)17(21)25-19(3,10-30(18,27)28)12-7-11(5-6-13(12)20)24-16(26)14-8-23-15(29-4)9-22-14/h5-9H,10H2,1-4H3,(H2,21,25)(H,24,26)/t19-/m0/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128463
BindingDB Entry DOI: 10.7270/Q2988C2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50596246
(CHEMBL5203915)Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1 |r| | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128463
BindingDB Entry DOI: 10.7270/Q2988C2N |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50364710
(CHEMBL1951882)Show SMILES Brc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O Show InChI InChI=1S/C19H14BrN3OS/c20-11-1-5-13(6-2-11)23-10-8-14-16-15(22-12-3-4-12)7-9-21-18(16)25-17(14)19(23)24/h1-2,5-10,12H,3-4H2,(H,21,22) | PDB
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PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1 |
Bioorg Med Chem Lett 22: 1575-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186837
(4'-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5-f...)Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(CC2CC2)CC1)c1ccc(cc1)-c1cccc(c1)C#N |(5.53,-27.52,;4.76,-28.85,;3.23,-28.86,;2.47,-30.18,;.96,-30.5,;.81,-32.03,;2.21,-32.66,;3.23,-31.51,;4.77,-31.52,;5.54,-30.19,;7.08,-30.19,;8.62,-30.18,;7.08,-31.73,;7.08,-28.65,;-.53,-32.81,;-.52,-34.35,;-1.86,-35.11,;-1.86,-36.64,;-.53,-37.42,;-.53,-38.96,;-1.87,-39.72,;-3.41,-39.72,;-2.64,-41.06,;.8,-36.65,;.81,-35.1,;-1.86,-32.04,;-3.2,-32.81,;-4.53,-32.04,;-4.53,-30.5,;-3.2,-29.73,;-1.87,-30.49,;-5.86,-29.73,;-7.19,-30.5,;-8.52,-29.73,;-8.53,-28.19,;-7.19,-27.42,;-5.86,-28.18,;-7.19,-25.87,;-7.19,-24.33,)| Show InChI InChI=1S/C31H26F4N4/c32-26-16-28-27(15-25(26)31(33,34)35)37-30(38-28)29(23-10-12-39(13-11-23)18-19-4-5-19)22-8-6-21(7-9-22)24-3-1-2-20(14-24)17-36/h1-3,6-9,14-16,19H,4-5,10-13,18H2,(H,37,38) | Reactome pathway
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3674-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186841
(4'-[(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2...)Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCNCC1)c1ccc(cc1)-c1cccc(c1)C#N |(25.89,-15.32,;25.13,-16.65,;23.6,-16.65,;22.83,-17.98,;21.33,-18.3,;21.17,-19.83,;22.58,-20.46,;23.6,-19.31,;25.13,-19.31,;25.9,-17.98,;27.44,-17.98,;28.98,-17.98,;27.44,-19.52,;27.44,-16.44,;19.84,-20.6,;19.84,-22.14,;18.5,-22.9,;18.5,-24.44,;19.83,-25.21,;21.17,-24.44,;21.17,-22.9,;18.5,-19.84,;17.17,-20.61,;15.83,-19.84,;15.83,-18.29,;17.16,-17.52,;18.5,-18.29,;14.5,-17.52,;13.18,-18.29,;11.84,-17.53,;11.84,-15.98,;13.17,-15.21,;14.5,-15.98,;13.16,-13.67,;13.16,-12.13,)| Show InChI InChI=1S/C27H20F4N4/c28-22-14-24-23(13-21(22)27(29,30)31)34-26(35-24)25(19-8-10-33-11-9-19)18-6-4-17(5-7-18)20-3-1-2-16(12-20)15-32/h1-7,12-14,33H,8-11H2,(H,34,35) | Reactome pathway
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3674-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186831
(4'-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5-f...)Show SMILES Fc1ccc(cc1-c1ccc(cc1)C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)=C1CCN(CC2CC2)CC1)C#N |(-5.09,-2.07,;-5.09,-.53,;-6.43,.23,;-6.43,1.78,;-5.1,2.55,;-3.77,1.78,;-3.77,.24,;-2.44,-.53,;-2.44,-2.07,;-1.1,-2.85,;.23,-2.07,;.23,-.52,;-1.11,.24,;1.57,-2.84,;2.9,-2.07,;4.31,-2.69,;5.33,-1.55,;6.86,-1.55,;7.63,-.22,;6.86,1.11,;7.62,2.45,;5.33,1.11,;4.56,-.22,;3.06,-.54,;9.17,-.22,;10.71,-.22,;9.17,-1.76,;9.17,1.32,;1.57,-4.38,;.23,-5.14,;.23,-6.68,;1.56,-7.45,;1.56,-8.99,;.22,-9.76,;-1.31,-9.76,;-.55,-11.09,;2.9,-6.68,;2.9,-5.14,;-5.1,4.1,;-5.1,5.64,)| Show InChI InChI=1S/C31H25F5N4/c32-25-8-3-19(16-37)13-23(25)20-4-6-21(7-5-20)29(22-9-11-40(12-10-22)17-18-1-2-18)30-38-27-14-24(31(34,35)36)26(33)15-28(27)39-30/h3-8,13-15,18H,1-2,9-12,17H2,(H,38,39) | Reactome pathway
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3674-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186802
(CHEMBL211285 | N-(3-chloro-4-fluoro-phenyl)-2-{[4-...)Show SMILES CN(CC(=O)Nc1ccc(F)c(Cl)c1)C1(CCN(CC1)C1CCCC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C32H34ClFN4O/c1-37(22-31(39)36-27-13-14-30(34)29(33)20-27)32(15-17-38(18-16-32)28-7-2-3-8-28)26-11-9-24(10-12-26)25-6-4-5-23(19-25)21-35/h4-6,9-14,19-20,28H,2-3,7-8,15-18,22H2,1H3,(H,36,39) | Reactome pathway
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50596245
(CHEMBL5195634)Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(CF)C(=N)N1 |r| | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128463
BindingDB Entry DOI: 10.7270/Q2988C2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50596243
(CHEMBL5174392)Show SMILES CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r| | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128463
BindingDB Entry DOI: 10.7270/Q2988C2N |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186834
(4'-[6-cyclopropylmethyl-1-(5-fluoro-6-trifluoromet...)Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C1(CC11CCN(CC2CC2)CC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C32H28F4N4/c33-26-16-28-27(15-25(26)32(34,35)36)38-29(39-28)31(19-30(31)10-12-40(13-11-30)18-20-4-5-20)24-8-6-22(7-9-24)23-3-1-2-21(14-23)17-37/h1-3,6-9,14-16,20H,4-5,10-13,18-19H2,(H,38,39) | Reactome pathway
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3674-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50596244
(CHEMBL5208596)Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CF)C(=N)N1 |r| | PDB
MMDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128463
BindingDB Entry DOI: 10.7270/Q2988C2N |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50364692
(CHEMBL1951683)Show SMILES COc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O Show InChI InChI=1S/C20H17N3O2S/c1-25-14-6-4-13(5-7-14)23-11-9-15-17-16(22-12-2-3-12)8-10-21-19(17)26-18(15)20(23)24/h4-12H,2-3H2,1H3,(H,21,22) | PDB
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| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1 |
Bioorg Med Chem Lett 22: 1575-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186777
(2-{[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piper...)Show SMILES CN(CC(=O)Nc1cc(F)cc(F)c1)C1(CCN(CC1)C1CCCC1)c1ccc(cc1)-c1cccc(c1)C#N Show InChI InChI=1S/C32H34F2N4O/c1-37(22-31(39)36-29-19-27(33)18-28(34)20-29)32(13-15-38(16-14-32)30-7-2-3-8-30)26-11-9-24(10-12-26)25-6-4-5-23(17-25)21-35/h4-6,9-12,17-20,30H,2-3,7-8,13-16,22H2,1H3,(H,36,39) | Reactome pathway
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50364700
(CHEMBL1951872)Show InChI InChI=1S/C17H12BrN3OS/c1-19-13-6-8-20-16-14(13)12-7-9-21(17(22)15(12)23-16)11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,20) | PDB
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| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1 |
Bioorg Med Chem Lett 22: 1575-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190877
(2-(6-(3-cyanophenyl)-1-(1-(tetrahydro-2H-pyran-4-y...)Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C2C2CCN(CC2)C2CCOCC2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C34H36Cl2N4O2/c35-28-18-29(36)20-30(19-28)38-33(41)22-40-13-8-27-17-26(25-3-1-2-23(16-25)21-37)4-5-32(27)34(40)24-6-11-39(12-7-24)31-9-14-42-15-10-31/h1-5,16-20,24,31,34H,6-15,22H2,(H,38,41) | Reactome pathway
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| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 16: 4917-21 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50364731
(CHEMBL1951670)Show InChI InChI=1S/C18H14N2O3S/c1-22-12-5-3-11(4-6-12)20-10-8-13-15-14(23-2)7-9-19-17(15)24-16(13)18(20)21/h3-10H,1-2H3 | PDB
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| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1 |
Bioorg Med Chem Lett 22: 1575-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190869
(2-(6-(3-cyanophenyl)-1-(1-(5-hydroxypentyl)piperid...)Show SMILES OCCCCCN1CCC(CC1)C1N(CC(=O)Nc2cc(Cl)cc(Cl)c2)CCc2cc(ccc12)-c1cccc(c1)C#N Show InChI InChI=1S/C34H38Cl2N4O2/c35-29-19-30(36)21-31(20-29)38-33(42)23-40-15-11-28-18-27(26-6-4-5-24(17-26)22-37)7-8-32(28)34(40)25-9-13-39(14-10-25)12-2-1-3-16-41/h4-8,17-21,25,34,41H,1-3,9-16,23H2,(H,38,42) | Reactome pathway
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| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 16: 4917-21 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190851
(2-(6-(3-cyanophenyl)-1-(1-(tetrahydrothiophen-3-yl...)Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C2C2CCN(CC2)C2CCSC2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C33H34Cl2N4OS/c34-27-16-28(35)18-29(17-27)37-32(40)20-39-12-8-26-15-25(24-3-1-2-22(14-24)19-36)4-5-31(26)33(39)23-6-10-38(11-7-23)30-9-13-41-21-30/h1-5,14-18,23,30,33H,6-13,20-21H2,(H,37,40) | Reactome pathway
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 16: 4917-21 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186854
(4'-{(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2...)Show SMILES OCCN1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N |(.26,-46.09,;.27,-44.55,;1.6,-43.78,;1.6,-42.24,;.27,-41.47,;.27,-39.93,;1.61,-39.17,;2.94,-39.93,;2.94,-41.47,;1.61,-37.63,;2.94,-36.86,;4.35,-37.48,;5.37,-36.34,;6.9,-36.34,;7.67,-35.01,;6.9,-33.68,;7.67,-32.34,;5.37,-33.68,;4.61,-35,;3.1,-35.33,;9.21,-35.01,;10.75,-35.01,;9.21,-36.55,;9.21,-33.47,;.28,-36.86,;-1.06,-37.63,;-2.39,-36.86,;-2.39,-35.32,;-1.06,-34.55,;.27,-35.31,;-3.73,-34.55,;-5.05,-35.32,;-6.38,-34.56,;-6.39,-33.01,;-5.05,-32.24,;-3.72,-33.01,;-5.06,-30.7,;-5.06,-29.16,)| Show InChI InChI=1S/C29H24F4N4O/c30-24-16-26-25(15-23(24)29(31,32)33)35-28(36-26)27(21-8-10-37(11-9-21)12-13-38)20-6-4-19(5-7-20)22-3-1-2-18(14-22)17-34/h1-7,14-16,38H,8-13H2,(H,35,36) | Reactome pathway
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| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3674-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50364709
(CHEMBL1951881)Show InChI InChI=1S/C18H14BrN3OS/c1-2-20-14-7-9-21-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,2H2,1H3,(H,20,21) | PDB
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| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1 |
Bioorg Med Chem Lett 22: 1575-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50364708
(CHEMBL1951880)Show SMILES Clc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O Show InChI InChI=1S/C19H14ClN3OS/c20-11-1-5-13(6-2-11)23-10-8-14-16-15(22-12-3-4-12)7-9-21-18(16)25-17(14)19(23)24/h1-2,5-10,12H,3-4H2,(H,21,22) | PDB
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| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1 |
Bioorg Med Chem Lett 22: 1575-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063 |
More data for this
Ligand-Target Pair | |
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