Found 971 hits with Last Name = 'heise' and Initial = 'c' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188823
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)Show SMILES COc1ccc(cc1)-c1ccc2c(c1)occ(-c1ccc(nc1)N1CCC(C1)N(C)C)c2=O Show InChI InChI=1S/C27H27N3O3/c1-29(2)21-12-13-30(16-21)26-11-7-20(15-28-26)24-17-33-25-14-19(6-10-23(25)27(24)31)18-4-8-22(32-3)9-5-18/h4-11,14-15,17,21H,12-13,16H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCH1R |
Bioorg Med Chem Lett 16: 4237-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190927
(CHEMBL214513 | N-((S)-1-((R)-3-(4,4-dimethylcycloh...)Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCC(C)(C)CC1 Show InChI InChI=1S/C31H44N4O2S/c1-5-22-6-8-23(9-7-22)27-10-11-28(38-27)29(36)33(4)26-15-19-35(21-26)30(37)34-18-14-25(20-34)32-24-12-16-31(2,3)17-13-24/h6-11,24-26,32H,5,12-21H2,1-4H3/t25-,26+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 by competitive binding assay |
Bioorg Med Chem Lett 16: 4922-30 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190919
(CHEMBL386454 | N-((S)-1-((R)-3-(4,4-dimethylcycloh...)Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCC(C)(C)CC1 Show InChI InChI=1S/C30H42N4O3S/c1-30(2)15-11-22(12-16-30)31-23-13-17-33(19-23)29(36)34-18-14-24(20-34)32(3)28(35)27-10-9-26(38-27)21-5-7-25(37-4)8-6-21/h5-10,22-24,31H,11-20H2,1-4H3/t23-,24+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 by competitive binding assay |
Bioorg Med Chem Lett 16: 4922-30 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50181451
(CHEMBL3818265)Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCC3(F)CN(C)C3)c2n1 Show InChI InChI=1S/C26H26ClFN6O2/c1-16-5-4-9-33(23(16)35)18-6-7-19(21(27)12-18)20-11-17-13-30-25(29-2)31-22(17)34(24(20)36)10-8-26(28)14-32(3)15-26/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,29,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Chempartner Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ... |
J Med Chem 59: 5520-41 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168624
((S)-3-{[5-(2-Chloro-4-methyl-phenyl)-thiophene-2-c...)Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(s1)-c1ccc(C)cc1Cl Show InChI InChI=1S/C24H31ClN4O2S/c1-16-5-6-19(20(25)13-16)21-7-8-22(32-21)23(30)27(3)18-10-12-29(15-18)24(31)28(4)17-9-11-26(2)14-17/h5-8,13,17-18H,9-12,14-15H2,1-4H3/t17-,18+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ... |
Bioorg Med Chem Lett 15: 3439-45 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168622
((S)-3-{[5-(4-Ethyl-phenyl)-thiophene-2-carbonyl]-m...)Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N(C)[C@@H]1CCN(C)C1 Show InChI InChI=1S/C25H34N4O2S/c1-5-18-6-8-19(9-7-18)22-10-11-23(32-22)24(30)27(3)21-13-15-29(17-21)25(31)28(4)20-12-14-26(2)16-20/h6-11,20-21H,5,12-17H2,1-4H3/t20-,21+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ... |
Bioorg Med Chem Lett 15: 3439-45 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206687
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(C1)C1CCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H30ClN5O2S/c1-29(20-9-11-30(14-20)19-3-2-4-19)26(34)31-12-10-21(15-31)32-16-28-22-13-23(35-24(22)25(32)33)17-5-7-18(27)8-6-17/h5-8,13,16,19-21H,2-4,9-12,14-15H2,1H3/t20-,21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| 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 |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50189584
((R)-6-(4-chlorophenyl)-2-(6-(3-(dimethylamino)pyrr...)Show SMILES CN(C)[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(ccc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN5O/c1-29(2)22-11-12-30(16-22)24-10-8-21(15-27-24)31-25(32)23-9-5-18(13-19(23)14-28-31)17-3-6-20(26)7-4-17/h3-10,13-15,22H,11-12,16H2,1-2H3/t22-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells |
J Med Chem 49: 3753-6 (2006)
Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50189587
((S)-6-(4-chlorophenyl)-2-(6-(3-(dimethylamino)pyrr...)Show SMILES CN(C)[C@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(ccc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN5O/c1-29(2)22-11-12-30(16-22)24-10-8-21(15-27-24)31-25(32)23-9-5-18(13-19(23)14-28-31)17-3-6-20(26)7-4-17/h3-10,13-15,22H,11-12,16H2,1-2H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells |
J Med Chem 49: 3753-6 (2006)
Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50189581
((S)-6-(4-chlorophenyl)-2-(6-(3-(methylamino)pyrrol...)Show SMILES CN[C@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(ccc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H22ClN5O/c1-26-20-10-11-29(15-20)23-9-7-21(14-27-23)30-24(31)22-8-4-17(12-18(22)13-28-30)16-2-5-19(25)6-3-16/h2-9,12-14,20,26H,10-11,15H2,1H3/t20-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells |
J Med Chem 49: 3753-6 (2006)
Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50189592
((R)-2-(4-methoxyphenyl)-6-(6-(3-(methylamino)pyrro...)Show SMILES CN[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(sc2c1=O)-c1ccc(OC)cc1 Show InChI InChI=1S/C23H23N5O2S/c1-24-17-9-10-27(14-17)21-8-5-18(13-25-21)28-23(29)22-16(12-26-28)11-20(31-22)15-3-6-19(30-2)7-4-15/h3-8,11-13,17,24H,9-10,14H2,1-2H3/t17-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells |
J Med Chem 49: 3753-6 (2006)
Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188825
((S)-7-(4-chlorophenyl)-3-(6-(3-(dimethylamino)pyrr...)Show SMILES CN(C)[C@H]1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H24ClN3O2/c1-29(2)21-11-12-30(15-21)25-10-6-19(14-28-25)23-16-32-24-13-18(5-9-22(24)26(23)31)17-3-7-20(27)8-4-17/h3-10,13-14,16,21H,11-12,15H2,1-2H3/t21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCH1R |
Bioorg Med Chem Lett 16: 4237-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50189589
((R)-6-(4-chlorophenyl)-2-(6-(3-(methylamino)pyrrol...)Show SMILES CN[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(ccc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H22ClN5O/c1-26-20-10-11-29(15-20)23-9-7-21(14-27-23)30-24(31)22-8-4-17(12-18(22)13-28-30)16-2-5-19(25)6-3-16/h2-9,12-14,20,26H,10-11,15H2,1H3/t20-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells |
J Med Chem 49: 3753-6 (2006)
Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50189582
((S)-6-(4-chlorophenyl)-2-(6-(3-(pyrrolidin-1-ylami...)Show SMILES Clc1ccc(cc1)-c1ccc2c(cnn(-c3ccc(nc3)N3CC[C@@H](C3)NN3CCCC3)c2=O)c1 Show InChI InChI=1S/C27H27ClN6O/c28-22-6-3-19(4-7-22)20-5-9-25-21(15-20)16-30-34(27(25)35)24-8-10-26(29-17-24)32-14-11-23(18-32)31-33-12-1-2-13-33/h3-10,15-17,23,31H,1-2,11-14,18H2/t23-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells |
J Med Chem 49: 3753-6 (2006)
Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190948
(CHEMBL442064 | N-((S)-1-((R)-3-(4,4-dimethylcycloh...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCC(C)(C)CC1)C(=O)c1ccc(s1)-c1ccc(C)cc1 Show InChI InChI=1S/C30H42N4O2S/c1-21-5-7-22(8-6-21)26-9-10-27(37-26)28(35)32(4)25-14-18-34(20-25)29(36)33-17-13-24(19-33)31-23-11-15-30(2,3)16-12-23/h5-10,23-25,31H,11-20H2,1-4H3/t24-,25+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 by competitive binding assay |
Bioorg Med Chem Lett 16: 4922-30 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188826
((R)-7-(4-chlorophenyl)-3-(6-(3-(dimethylamino)pyrr...)Show SMILES CN(C)[C@@H]1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H24ClN3O2/c1-29(2)21-11-12-30(15-21)25-10-6-19(14-28-25)23-16-32-24-13-18(5-9-22(24)26(23)31)17-3-7-20(27)8-4-17/h3-10,13-14,16,21H,11-12,15H2,1-2H3/t21-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCH1R |
Bioorg Med Chem Lett 16: 4237-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50160730
(3-{(S)-Methyl-[5-(4-trifluoromethyl-phenyl)-thioph...)Show SMILES CN([C@@H]1CCN(C1)C1CCC(C)(C)CC1)C(=O)N1CCC(C1)N(C)C(=O)c1ccc(s1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C31H41F3N4O2S/c1-30(2)15-11-23(12-16-30)37-17-13-25(19-37)36(4)29(40)38-18-14-24(20-38)35(3)28(39)27-10-9-26(41-27)21-5-7-22(8-6-21)31(32,33)34/h5-10,23-25H,11-20H2,1-4H3/t24?,25-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human Melanin-concentrating hormone 1 (MCH1) receptor modified for optimal expression in HEK293 cells |
Bioorg Med Chem Lett 15: 999-1004 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.036
BindingDB Entry DOI: 10.7270/Q21R6R9X |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50189579
((S)-6-(4-chlorophenyl)-2-(6-(3-(ethylamino)pyrroli...)Show SMILES CCN[C@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(ccc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN5O/c1-2-27-21-11-12-30(16-21)24-10-8-22(15-28-24)31-25(32)23-9-5-18(13-19(23)14-29-31)17-3-6-20(26)7-4-17/h3-10,13-15,21,27H,2,11-12,16H2,1H3/t21-/m0/s1 | Reactome pathway
KEGG
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UniChem
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PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells |
J Med Chem 49: 3753-6 (2006)
Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50189578
((R)-2-(4-chlorophenyl)-6-(6-(3-(methylamino)pyrrol...)Show SMILES CN[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20ClN5OS/c1-24-17-8-9-27(13-17)20-7-6-18(12-25-20)28-22(29)21-15(11-26-28)10-19(30-21)14-2-4-16(23)5-3-14/h2-7,10-12,17,24H,8-9,13H2,1H3/t17-/m1/s1 | Reactome pathway
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells |
J Med Chem 49: 3753-6 (2006)
Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50148920
(CHEMBL3769478)Show SMILES CN[C@H]1CO[C@H](Cn2c3nc(NC)ncc3cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c2=O)OC1 |r,wU:2.1,wD:5.5,(6.68,-7.38,;6.68,-6.15,;5.34,-5.38,;4.01,-6.15,;2.68,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-2.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;4,1.54,;5.33,.77,;6.66,1.53,;6.67,3.07,;5.33,3.85,;4,3.08,;2.93,3.7,;8,3.84,;9.34,3.07,;10.67,3.84,;10.67,5.38,;9.34,6.15,;9.34,7.39,;8,5.38,;2.66,-.77,;3.73,-1.38,;4,-3.07,;5.34,-3.84,)| Show InChI InChI=1S/C26H27ClN6O3/c1-15-5-4-6-22(31-15)16-7-8-19(21(27)10-16)20-9-17-11-30-26(29-3)32-24(17)33(25(20)34)12-23-35-13-18(28-2)14-36-23/h4-11,18,23,28H,12-14H2,1-3H3,(H,29,30,32)/t18-,23- | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ... |
ACS Med Chem Lett 6: 1241-6 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00398
BindingDB Entry DOI: 10.7270/Q2MP554V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50148928
(CHEMBL3770909)Show SMILES CCNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1 |r,wU:27.28,wD:30.32,(-6.42,1.38,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C27H30ClN7O/c1-3-31-27-32-13-19-10-22(21-9-6-18(11-23(21)28)24-14-30-12-16(2)33-24)26(36)35(25(19)34-27)15-17-4-7-20(29)8-5-17/h6,9-14,17,20H,3-5,7-8,15,29H2,1-2H3,(H,31,32,34)/t17-,20- | PDB
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| PDB
Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ... |
ACS Med Chem Lett 6: 1241-6 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00398
BindingDB Entry DOI: 10.7270/Q2MP554V |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190943
(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N-((S)-1-(...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCC(C)(C)CC1)C(=O)c1ccc(s1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C31H42N4O4S/c1-31(2)12-8-22(9-13-31)32-23-10-14-34(19-23)30(37)35-15-11-24(20-35)33(3)29(36)28-7-6-27(40-28)21-4-5-25-26(18-21)39-17-16-38-25/h4-7,18,22-24,32H,8-17,19-20H2,1-3H3/t23-,24+/m1/s1 | Reactome pathway
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 by competitive binding assay |
Bioorg Med Chem Lett 16: 4922-30 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188817
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C26H24FN3O2/c1-29(2)21-11-12-30(15-21)25-10-6-19(14-28-25)23-16-32-24-13-18(5-9-22(24)26(23)31)17-3-7-20(27)8-4-17/h3-10,13-14,16,21H,11-12,15H2,1-2H3 | Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCH1R |
Bioorg Med Chem Lett 16: 4237-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206675
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(C1)C1CCC(C)(C)CC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H38ClN5O2S/c1-30(2)12-8-22(9-13-30)34-14-10-23(17-34)33(3)29(38)35-15-11-24(18-35)36-19-32-25-16-26(39-27(25)28(36)37)20-4-6-21(31)7-5-20/h4-7,16,19,22-24H,8-15,17-18H2,1-3H3/t23-,24-/m0/s1 | Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168618
((S)-3-{[5-(4-Chloro-phenyl)-thiophene-2-carbonyl]-...)Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(s1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H29ClN4O2S/c1-25-12-10-18(14-25)27(3)23(30)28-13-11-19(15-28)26(2)22(29)21-9-8-20(31-21)16-4-6-17(24)7-5-16/h4-9,18-19H,10-15H2,1-3H3/t18-,19+/m1/s1 | Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ... |
Bioorg Med Chem Lett 15: 3439-45 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168616
((S)-3-{[5-(2-Chloro-4-ethoxy-phenyl)-thiophene-2-c...)Show SMILES CCOc1ccc(-c2ccc(s2)C(=O)N(C)[C@H]2CCN(C2)C(=O)N(C)[C@@H]2CCN(C)C2)c(Cl)c1 Show InChI InChI=1S/C25H33ClN4O3S/c1-5-33-19-6-7-20(21(26)14-19)22-8-9-23(34-22)24(31)28(3)18-11-13-30(16-18)25(32)29(4)17-10-12-27(2)15-17/h6-9,14,17-18H,5,10-13,15-16H2,1-4H3/t17-,18+/m1/s1 | Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ... |
Bioorg Med Chem Lett 15: 3439-45 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168615
((S)-3-[(4'-Chloro-biphenyl-4-carbonyl)-methyl-amin...)Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H31ClN4O2/c1-27-14-12-22(16-27)29(3)25(32)30-15-13-23(17-30)28(2)24(31)20-6-4-18(5-7-20)19-8-10-21(26)11-9-19/h4-11,22-23H,12-17H2,1-3H3/t22-,23+/m1/s1 | Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ... |
Bioorg Med Chem Lett 15: 3439-45 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168611
((S)-3-{Methyl-[5-(4-trifluoromethyl-phenyl)-thioph...)Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(s1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H29F3N4O2S/c1-28-12-10-18(14-28)30(3)23(33)31-13-11-19(15-31)29(2)22(32)21-9-8-20(34-21)16-4-6-17(7-5-16)24(25,26)27/h4-9,18-19H,10-15H2,1-3H3/t18-,19+/m1/s1 | Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ... |
Bioorg Med Chem Lett 15: 3439-45 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50097131
(CHEMBL3580667)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2N)c1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1 |r| | PDB
MMDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Chempartner Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PAK4 |
J Med Chem 58: 5121-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00572
BindingDB Entry DOI: 10.7270/Q2DV1MN9 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50189593
((S)-2-(4-fluorophenyl)-6-(6-(3-(methylamino)pyrrol...)Show SMILES CN[C@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(sc2c1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C22H20FN5OS/c1-24-17-8-9-27(13-17)20-7-6-18(12-25-20)28-22(29)21-15(11-26-28)10-19(30-21)14-2-4-16(23)5-3-14/h2-7,10-12,17,24H,8-9,13H2,1H3/t17-/m0/s1 | Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells |
J Med Chem 49: 3753-6 (2006)
Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50181451
(CHEMBL3818265)Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCC3(F)CN(C)C3)c2n1 Show InChI InChI=1S/C26H26ClFN6O2/c1-16-5-4-9-33(23(16)35)18-6-7-19(21(27)12-18)20-11-17-13-30-25(29-2)31-22(17)34(24(20)36)10-8-26(28)14-32(3)15-26/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,29,30,31) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Chempartner Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol... |
J Med Chem 59: 5520-41 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190931
(CHEMBL265255 | N-((S)-1-((R)-3-(cyclopentylamino)p...)Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCCC1 Show InChI InChI=1S/C28H38N4O2S/c1-3-20-8-10-21(11-9-20)25-12-13-26(35-25)27(33)30(2)24-15-17-32(19-24)28(34)31-16-14-23(18-31)29-22-6-4-5-7-22/h8-13,22-24,29H,3-7,14-19H2,1-2H3/t23-,24+/m1/s1 | Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 by competitive binding assay |
Bioorg Med Chem Lett 16: 4922-30 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190922
(5-(4-ethylphenyl)-N-methyl-N-((S)-1-((R)-3-(tetrah...)Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCOCC1 Show InChI InChI=1S/C28H38N4O3S/c1-3-20-4-6-21(7-5-20)25-8-9-26(36-25)27(33)30(2)24-11-15-32(19-24)28(34)31-14-10-23(18-31)29-22-12-16-35-17-13-22/h4-9,22-24,29H,3,10-19H2,1-2H3/t23-,24+/m1/s1 | Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 by competitive binding assay |
Bioorg Med Chem Lett 16: 4922-30 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50148927
(CHEMBL3770588)Show SMILES CCNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1 |r,wU:27.28,wD:30.32,(-6.42,1.38,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C28H31ClN6O/c1-3-31-28-32-15-20-13-23(22-12-9-19(14-24(22)29)25-6-4-5-17(2)33-25)27(36)35(26(20)34-28)16-18-7-10-21(30)11-8-18/h4-6,9,12-15,18,21H,3,7-8,10-11,16,30H2,1-2H3,(H,31,32,34)/t18-,21- | PDB
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ... |
ACS Med Chem Lett 6: 1241-6 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00398
BindingDB Entry DOI: 10.7270/Q2MP554V |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188834
(7-(4-chlorophenyl)-3-(6-(3-(dimethylamino)pyrrolid...)Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H24ClN3O2/c1-29(2)21-11-12-30(15-21)25-10-6-19(14-28-25)23-16-32-24-13-18(5-9-22(24)26(23)31)17-3-7-20(27)8-4-17/h3-10,13-14,16,21H,11-12,15H2,1-2H3 | Reactome pathway
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCH1R |
Bioorg Med Chem Lett 16: 4237-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190941
(CHEMBL387013 | N-((S)-1-((R)-3-(3-cyclohexylpropyl...)Show SMILES COc1ccc(-c2ccc(s2)C(=O)N(C)[C@H]2CCN(C2)C(=O)N2CC[C@H](C2)NCCCC2CCCCC2)c(C)c1 Show InChI InChI=1S/C32H46N4O3S/c1-23-20-27(39-3)11-12-28(23)29-13-14-30(40-29)31(37)34(2)26-16-19-36(22-26)32(38)35-18-15-25(21-35)33-17-7-10-24-8-5-4-6-9-24/h11-14,20,24-26,33H,4-10,15-19,21-22H2,1-3H3/t25-,26+/m1/s1 | Reactome pathway
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 by competitive binding assay |
Bioorg Med Chem Lett 16: 4922-30 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170395
(Biphenyl-4-carboxylic acid [6-(3-methylamino-pyrro...)Show SMILES CNC1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cn1 Show InChI InChI=1S/C23H24N4O/c1-24-21-13-14-27(16-21)22-12-11-20(15-25-22)26-23(28)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15,21,24H,13-14,16H2,1H3,(H,26,28) | Reactome pathway
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190940
(CHEMBL383933 | N-((S)-1-((R)-3-(4,4-dimethylcycloh...)Show SMILES COc1ccc(-c2ccc(s2)C(=O)N(C)[C@H]2CCN(C2)C(=O)N2CC[C@H](C2)NC2CCC(C)(C)CC2)c(C)c1 Show InChI InChI=1S/C31H44N4O3S/c1-21-18-25(38-5)6-7-26(21)27-8-9-28(39-27)29(36)33(4)24-13-17-35(20-24)30(37)34-16-12-23(19-34)32-22-10-14-31(2,3)15-11-22/h6-9,18,22-24,32H,10-17,19-20H2,1-5H3/t23-,24+/m1/s1 | Reactome pathway
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 by competitive binding assay |
Bioorg Med Chem Lett 16: 4922-30 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50189594
((R)-2-(4-fluorophenyl)-6-(6-(3-(methylamino)pyrrol...)Show SMILES CN[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(sc2c1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C22H20FN5OS/c1-24-17-8-9-27(13-17)20-7-6-18(12-25-20)28-22(29)21-15(11-26-28)10-19(30-21)14-2-4-16(23)5-3-14/h2-7,10-12,17,24H,8-9,13H2,1H3/t17-/m1/s1 | Reactome pathway
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells |
J Med Chem 49: 3753-6 (2006)
Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50189591
((R)-2-(4-ethylphenyl)-6-(6-(3-(methylamino)pyrroli...)Show SMILES CCc1ccc(cc1)-c1cc2cnn(-c3ccc(nc3)N3CC[C@H](C3)NC)c(=O)c2s1 Show InChI InChI=1S/C24H25N5OS/c1-3-16-4-6-17(7-5-16)21-12-18-13-27-29(24(30)23(18)31-21)20-8-9-22(26-14-20)28-11-10-19(15-28)25-2/h4-9,12-14,19,25H,3,10-11,15H2,1-2H3/t19-/m1/s1 | Reactome pathway
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells |
J Med Chem 49: 3753-6 (2006)
Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50181449
(CHEMBL3817856)Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CC3CCNCC3(F)F)c2n1 Show InChI InChI=1S/C26H25ClF2N6O2/c1-15-4-3-9-34(23(15)36)18-5-6-19(21(27)11-18)20-10-16-12-32-25(30-2)33-22(16)35(24(20)37)13-17-7-8-31-14-26(17,28)29/h3-6,9-12,17,31H,7-8,13-14H2,1-2H3,(H,30,32,33) | PDB
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Chempartner Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ... |
J Med Chem 59: 5520-41 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00638
BindingDB Entry DOI: 10.7270/Q23X88KT |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168623
((S)-3-{[5-(2,4-Dichloro-phenyl)-thiophene-2-carbon...)Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(s1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H28Cl2N4O2S/c1-26-10-8-16(13-26)28(3)23(31)29-11-9-17(14-29)27(2)22(30)21-7-6-20(32-21)18-5-4-15(24)12-19(18)25/h4-7,12,16-17H,8-11,13-14H2,1-3H3/t16-,17+/m1/s1 | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ... |
Bioorg Med Chem Lett 15: 3439-45 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168605
((S)-3-{[5-(4-Chloro-2-methyl-phenyl)-thiophene-2-c...)Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(s1)-c1ccc(Cl)cc1C Show InChI InChI=1S/C24H31ClN4O2S/c1-16-13-17(25)5-6-20(16)21-7-8-22(32-21)23(30)27(3)19-10-12-29(15-19)24(31)28(4)18-9-11-26(2)14-18/h5-8,13,18-19H,9-12,14-15H2,1-4H3/t18-,19+/m1/s1 | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ... |
Bioorg Med Chem Lett 15: 3439-45 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168633
((S)-3-[Methyl-(5-p-tolyl-thiophene-2-carbonyl)-ami...)Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(s1)-c1ccc(C)cc1 Show InChI InChI=1S/C24H32N4O2S/c1-17-5-7-18(8-6-17)21-9-10-22(31-21)23(29)26(3)20-12-14-28(16-20)24(30)27(4)19-11-13-25(2)15-19/h5-10,19-20H,11-16H2,1-4H3/t19-,20+/m1/s1 | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ... |
Bioorg Med Chem Lett 15: 3439-45 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50096231
(CHEMBL3580975)Show SMILES CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CC2)n1 Show InChI InChI=1S/C30H50N4O6/c1-7-19(3)25-29(40)34-17-13-12-16-23(34)28(39)31-21(15-11-9-10-14-20(35)8-2)26(37)32-22(27(38)33-25)18-24(36)30(4,5)6/h19,21-23,25H,7-18H2,1-6H3,(H,31,39)(H,32,37)(H,33,38)/t19?,21-,22-,23+,25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) |
ACS Med Chem Lett 6: 711-5 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00151
BindingDB Entry DOI: 10.7270/Q24J0GWT |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168635
((S)-3-{[5-(4-Methoxy-2-methyl-phenyl)-thiophene-2-...)Show SMILES COc1ccc(-c2ccc(s2)C(=O)N(C)[C@H]2CCN(C2)C(=O)N(C)[C@@H]2CCN(C)C2)c(C)c1 Show InChI InChI=1S/C25H34N4O3S/c1-17-14-20(32-5)6-7-21(17)22-8-9-23(33-22)24(30)27(3)19-11-13-29(16-19)25(31)28(4)18-10-12-26(2)15-18/h6-9,14,18-19H,10-13,15-16H2,1-5H3/t18-,19+/m1/s1 | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ... |
Bioorg Med Chem Lett 15: 3439-45 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188835
(7-(4-bromophenyl)-3-(6-(3-(dimethylamino)pyrrolidi...)Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C26H24BrN3O2/c1-29(2)21-11-12-30(15-21)25-10-6-19(14-28-25)23-16-32-24-13-18(5-9-22(24)26(23)31)17-3-7-20(27)8-4-17/h3-10,13-14,16,21H,11-12,15H2,1-2H3 | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCH1R |
Bioorg Med Chem Lett 16: 4237-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50168630
((S)-3-{[5-(2,4-Dimethyl-phenyl)-thiophene-2-carbon...)Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(s1)-c1ccc(C)cc1C Show InChI InChI=1S/C25H34N4O2S/c1-17-6-7-21(18(2)14-17)22-8-9-23(32-22)24(30)27(4)20-11-13-29(16-20)25(31)28(5)19-10-12-26(3)15-19/h6-9,14,19-20H,10-13,15-16H2,1-5H3/t19-,20+/m1/s1 | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ... |
Bioorg Med Chem Lett 15: 3439-45 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190929
(5-(4-ethylphenyl)-N-methyl-N-((S)-1-((R)-3-(methyl...)Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)N(C)C1CCOCC1 Show InChI InChI=1S/C29H40N4O3S/c1-4-21-5-7-22(8-6-21)26-9-10-27(37-26)28(34)31(3)25-12-16-33(20-25)29(35)32-15-11-24(19-32)30(2)23-13-17-36-18-14-23/h5-10,23-25H,4,11-20H2,1-3H3/t24-,25+/m1/s1 | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to MCHR1 by competitive binding assay |
Bioorg Med Chem Lett 16: 4922-30 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50206666
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)Show SMILES CN([C@H]1CCN(C1)C1CCOCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H32ClN5O3S/c1-30(21-6-10-31(15-21)20-8-12-36-13-9-20)27(35)32-11-7-22(16-32)33-17-29-23-14-24(37-25(23)26(33)34)18-2-4-19(28)5-3-18/h2-5,14,17,20-22H,6-13,15-16H2,1H3/t21-,22-/m0/s1 | Reactome pathway
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PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human MCHR1 |
Bioorg Med Chem Lett 17: 2535-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV |
More data for this
Ligand-Target Pair | |
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