Found 430 hits with Last Name = 'rist' and Initial = 'o' 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 1B
(Homo sapiens (Human)) | BDBM50172414
(2-(2,4-Dichloro-phenoxy)-N-[2-(2-dimethylamino-eth...)Show SMILES CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1 Show InChI InChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1B receptor |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50172414
(2-(2,4-Dichloro-phenoxy)-N-[2-(2-dimethylamino-eth...)Show SMILES CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1 Show InChI InChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Inhibitory concentration against 5-hydroxytryptamine 2A receptor |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50172414
(2-(2,4-Dichloro-phenoxy)-N-[2-(2-dimethylamino-eth...)Show SMILES CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1 Show InChI InChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.870 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Inhibitory concentration against histamine H2 receptor |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172441
((E)-N-{2-[(2-Hydroxy-ethyl)-methyl-amino]-4-methyl...)Show SMILES CN(CCO)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C23H22F3N3O3/c1-15-13-21(29(2)11-12-30)28-20-9-6-17(14-19(15)20)27-22(31)10-5-16-3-7-18(8-4-16)32-23(24,25)26/h3-10,13-14,30H,11-12H2,1-2H3,(H,27,31)/b10-5+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50177292
(CHEMBL425407 | N-(4-methyl-2-(2-(piperidin-1-yl)et...)Show SMILES Cc1cc(NCCN2CCCCC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 Show InChI InChI=1S/C26H29F3N4O3/c1-18-15-24(30-11-14-33-12-3-2-4-13-33)32-23-10-5-19(16-22(18)23)31-25(34)17-35-20-6-8-21(9-7-20)36-26(27,28)29/h5-10,15-16H,2-4,11-14,17H2,1H3,(H,30,32)(H,31,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay |
Bioorg Med Chem Lett 16: 1070-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172429
(CHEMBL370120 | N-(4-Methyl-2-piperidin-1-yl-quinol...)Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCCCC1 Show InChI InChI=1S/C24H24F3N3O3/c1-16-13-22(30-11-3-2-4-12-30)29-21-10-5-17(14-20(16)21)28-23(31)15-32-18-6-8-19(9-7-18)33-24(25,26)27/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,28,31) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50177299
(CHEMBL204952 | N-(4-methyl-2-(2-morpholinoethylami...)Show SMILES Cc1cc(NCCN2CCOCC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 Show InChI InChI=1S/C25H27F3N4O4/c1-17-14-23(29-8-9-32-10-12-34-13-11-32)31-22-7-2-18(15-21(17)22)30-24(33)16-35-19-3-5-20(6-4-19)36-25(26,27)28/h2-7,14-15H,8-13,16H2,1H3,(H,29,31)(H,30,33) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay |
Bioorg Med Chem Lett 16: 1070-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50172414
(2-(2,4-Dichloro-phenoxy)-N-[2-(2-dimethylamino-eth...)Show SMILES CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1 Show InChI InChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Inhibitory concentration against dopamine receptor D3 |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172425
(CHEMBL197026 | N-[2-(4-Amino-piperidin-1-yl)-4-met...)Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(N)CC1 Show InChI InChI=1S/C24H25F3N4O3/c1-15-12-22(31-10-8-16(28)9-11-31)30-21-7-2-17(13-20(15)21)29-23(32)14-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-7,12-13,16H,8-11,14,28H2,1H3,(H,29,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172418
(CHEMBL195635 | N-[4-Methyl-2-(4-pyrrolidin-1-yl-pi...)Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1 Show InChI InChI=1S/C28H31F3N4O3/c1-19-16-26(35-14-10-21(11-15-35)34-12-2-3-13-34)33-25-9-4-20(17-24(19)25)32-27(36)18-37-22-5-7-23(8-6-22)38-28(29,30)31/h4-9,16-17,21H,2-3,10-15,18H2,1H3,(H,32,36) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172424
(CHEMBL198361 | N-(4-Methyl-2-morpholin-4-yl-quinol...)Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCOCC1 Show InChI InChI=1S/C23H22F3N3O4/c1-15-12-21(29-8-10-31-11-9-29)28-20-7-2-16(13-19(15)20)27-22(30)14-32-17-3-5-18(6-4-17)33-23(24,25)26/h2-7,12-13H,8-11,14H2,1H3,(H,27,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50177291
(CHEMBL205111 | N-(2-(4-(2-hydroxyethyl)piperazin-1...)Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H27F3N4O4/c1-17-14-23(32-10-8-31(9-11-32)12-13-33)30-22-7-2-18(15-21(17)22)29-24(34)16-35-19-3-5-20(6-4-19)36-25(26,27)28/h2-7,14-15,33H,8-13,16H2,1H3,(H,29,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay |
Bioorg Med Chem Lett 16: 1070-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50172414
(2-(2,4-Dichloro-phenoxy)-N-[2-(2-dimethylamino-eth...)Show SMILES CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1 Show InChI InChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Inhibitory concentration against muscarinic acetylcholine receptor M1 |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172416
(CHEMBL427540 | N-[2-(2,5-Diaza-bicyclo[2.2.1]hept-...)Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CC2CC1CN2 Show InChI InChI=1S/C24H23F3N4O3/c1-14-8-22(31-12-16-9-17(31)11-28-16)30-21-7-2-15(10-20(14)21)29-23(32)13-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-8,10,16-17,28H,9,11-13H2,1H3,(H,29,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50177279
(CHEMBL436320 | N-(2-(1,4-diazepan-1-yl)-4-methylqu...)Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCCNCC1 Show InChI InChI=1S/C24H25F3N4O3/c1-16-13-22(31-11-2-9-28-10-12-31)30-21-8-3-17(14-20(16)21)29-23(32)15-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,13-14,28H,2,9-12,15H2,1H3,(H,29,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay |
Bioorg Med Chem Lett 16: 1070-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172415
(2-(2,4-Dichloro-phenoxy)-N-{2-[(2-hydroxy-ethyl)-m...)Show SMILES CN(CCO)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1 Show InChI InChI=1S/C21H21Cl2N3O3/c1-13-9-20(26(2)7-8-27)25-18-5-4-15(11-16(13)18)24-21(28)12-29-19-6-3-14(22)10-17(19)23/h3-6,9-11,27H,7-8,12H2,1-2H3,(H,24,28) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50177281
(CHEMBL379693 | N-(2-((2-(dimethylamino)ethyl)(meth...)Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C24H27F3N4O3/c1-16-13-22(31(4)12-11-30(2)3)29-21-10-5-17(14-20(16)21)28-23(32)15-33-18-6-8-19(9-7-18)34-24(25,26)27/h5-10,13-14H,11-12,15H2,1-4H3,(H,28,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay |
Bioorg Med Chem Lett 16: 1070-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50150073
(CHEMBL184084 | N-(4-methyl-2-(4-methylpiperazin-1-...)Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C24H25F3N4O3/c1-16-13-22(31-11-9-30(2)10-12-31)29-21-8-3-17(14-20(16)21)28-23(32)15-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay |
Bioorg Med Chem Lett 16: 1070-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172434
(Acetic acid 2-({6-[2-(3,4-dichloro-phenoxy)-acetyl...)Show SMILES CN(CCOC(C)=O)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1 Show InChI InChI=1S/C23H23Cl2N3O4/c1-14-10-22(28(3)8-9-31-15(2)29)27-20-6-5-17(12-18(14)20)26-23(30)13-32-21-7-4-16(24)11-19(21)25/h4-7,10-12H,8-9,13H2,1-3H3,(H,26,30) | Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50150073
(CHEMBL184084 | N-(4-methyl-2-(4-methylpiperazin-1-...)Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C24H25F3N4O3/c1-16-13-22(31-11-9-30(2)10-12-31)29-21-8-3-17(14-20(16)21)28-23(32)15-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,32) | Reactome pathway
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PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172444
((E)-N-[2-(4-Ethyl-piperazin-1-yl)-4-methyl-quinoli...)Show SMILES CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C26H27F3N4O2/c1-3-32-12-14-33(15-13-32)24-16-18(2)22-17-20(7-10-23(22)31-24)30-25(34)11-6-19-4-8-21(9-5-19)35-26(27,28)29/h4-11,16-17H,3,12-15H2,1-2H3,(H,30,34)/b11-6+ | Reactome pathway
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| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50177285
(CHEMBL204428 | rac-N-(2-(3-(dimethylamino)pyrrolid...)Show SMILES CN(C)C1CCN(C1)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C25H27F3N4O3/c1-16-12-23(32-11-10-18(14-32)31(2)3)30-22-9-4-17(13-21(16)22)29-24(33)15-34-19-5-7-20(8-6-19)35-25(26,27)28/h4-9,12-13,18H,10-11,14-15H2,1-3H3,(H,29,33) | Reactome pathway
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| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay |
Bioorg Med Chem Lett 16: 1070-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172427
(CHEMBL196581 | N-[2-(3-Dimethylamino-propylamino)-...)Show SMILES CN(C)CCCNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C24H27F3N4O3/c1-16-13-22(28-11-4-12-31(2)3)30-21-10-5-17(14-20(16)21)29-23(32)15-33-18-6-8-19(9-7-18)34-24(25,26)27/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,28,30)(H,29,32) | Reactome pathway
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| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172442
((E)-N-[2-(2-Dimethylamino-ethylamino)-4-methyl-qui...)Show SMILES CN(C)CCNc1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C24H25F3N4O2/c1-16-14-22(28-12-13-31(2)3)30-21-10-7-18(15-20(16)21)29-23(32)11-6-17-4-8-19(9-5-17)33-24(25,26)27/h4-11,14-15H,12-13H2,1-3H3,(H,28,30)(H,29,32)/b11-6+ | Reactome pathway
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PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50453060
(CHEMBL4203893)Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(CC(=O)N[C@H]2CC(=O)OC2O)c1=O |r| Show InChI InChI=1S/C28H27N7O7/c1-15(2)34-13-21(26(39)35(28(34)41)14-23(36)32-20-11-24(37)42-27(20)40)33-25(38)16-7-9-17(10-8-16)30-22-12-29-18-5-3-4-6-19(18)31-22/h3-10,12-13,15,20,27,40H,11,14H2,1-2H3,(H,30,31)(H,32,36)(H,33,38)/t20-,27?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nestl� Skin Health R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay |
J Med Chem 61: 4030-4051 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00067
BindingDB Entry DOI: 10.7270/Q2FR006X |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50177287
(CHEMBL203586 | N-(2-(2-(diethylamino)ethylamino)-4...)Show SMILES CCN(CC)CCNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C25H29F3N4O3/c1-4-32(5-2)13-12-29-23-14-17(3)21-15-18(6-11-22(21)31-23)30-24(33)16-34-19-7-9-20(10-8-19)35-25(26,27)28/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,29,31)(H,30,33) | Reactome pathway
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay |
Bioorg Med Chem Lett 16: 1070-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172425
(CHEMBL197026 | N-[2-(4-Amino-piperidin-1-yl)-4-met...)Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(N)CC1 Show InChI InChI=1S/C24H25F3N4O3/c1-15-12-22(31-10-8-16(28)9-11-31)30-21-7-2-17(13-20(15)21)29-23(32)14-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-7,12-13,16H,8-11,14,28H2,1H3,(H,29,32) | Reactome pathway
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 150p M [125I]-MCH from human MCH1R expressed in CHO-K1 cells |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50172414
(2-(2,4-Dichloro-phenoxy)-N-[2-(2-dimethylamino-eth...)Show SMILES CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1 Show InChI InChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Patents
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PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Inhibitory concentration against histamine H1 receptor |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50177273
((S)-N-(4-methyl-2-(3-methylpiperazin-1-yl)quinolin...)Show SMILES C[C@H]1CN(CCN1)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C24H25F3N4O3/c1-15-11-22(31-10-9-28-16(2)13-31)30-21-8-3-17(12-20(15)21)29-23(32)14-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,11-12,16,28H,9-10,13-14H2,1-2H3,(H,29,32)/t16-/m0/s1 | Reactome pathway
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| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay |
Bioorg Med Chem Lett 16: 1070-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 2
(Homo sapiens (Human)) | BDBM50172440
(2-(2,4-Dichloro-phenoxy)-N-(4-methyl-2-piperazin-1...)Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12)N1CCNCC1 Show InChI InChI=1S/C22H22Cl2N4O2/c1-14-10-21(28-8-6-25-7-9-28)27-19-4-3-16(12-17(14)19)26-22(29)13-30-20-5-2-15(23)11-18(20)24/h2-5,10-12,25H,6-9,13H2,1H3,(H,26,29) | Reactome pathway
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| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH2R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50177293
(CHEMBL202095 | N-(4-methyl-2-(4-methyl-1,4-diazepa...)Show SMILES CN1CCCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C25H27F3N4O3/c1-17-14-23(32-11-3-10-31(2)12-13-32)30-22-9-4-18(15-21(17)22)29-24(33)16-34-19-5-7-20(8-6-19)35-25(26,27)28/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,29,33) | Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay |
Bioorg Med Chem Lett 16: 1070-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172427
(CHEMBL196581 | N-[2-(3-Dimethylamino-propylamino)-...)Show SMILES CN(C)CCCNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C24H27F3N4O3/c1-16-13-22(28-11-4-12-31(2)3)30-21-10-5-17(14-20(16)21)29-23(32)15-33-18-6-8-19(9-7-18)34-24(25,26)27/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,28,30)(H,29,32) | Reactome pathway
KEGG
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PC sid
UniChem
Patents
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PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 150p M [125I]-MCH from human MCH1R expressed in CHO-K1 cells |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172430
((E)-N-(4-Methyl-2-piperazin-1-yl-quinolin-6-yl)-3-...)Show SMILES Cc1cc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCNCC1 Show InChI InChI=1S/C24H23F3N4O2/c1-16-14-22(31-12-10-28-11-13-31)30-21-8-5-18(15-20(16)21)29-23(32)9-4-17-2-6-19(7-3-17)33-24(25,26)27/h2-9,14-15,28H,10-13H2,1H3,(H,29,32)/b9-4+ | Reactome pathway
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UniChem
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50177296
((R)-N-(4-methyl-2-(3-methylpiperazin-1-yl)quinolin...)Show SMILES C[C@@H]1CN(CCN1)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C24H25F3N4O3/c1-15-11-22(31-10-9-28-16(2)13-31)30-21-8-3-17(12-20(15)21)29-23(32)14-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,11-12,16,28H,9-10,13-14H2,1-2H3,(H,29,32)/t16-/m1/s1 | Reactome pathway
KEGG
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PC sid
UniChem
Patents
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PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay |
Bioorg Med Chem Lett 16: 1070-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172426
((E)-N-[2-(2-Dimethylamino-1-methyl-ethylamino)-4-m...)Show SMILES CC(CN(C)C)Nc1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C25H27F3N4O2/c1-16-13-23(29-17(2)15-32(3)4)31-22-11-8-19(14-21(16)22)30-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-14,17H,15H2,1-4H3,(H,29,31)(H,30,33)/b12-7+ | Reactome pathway
KEGG
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UniChem
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PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 2
(Homo sapiens (Human)) | BDBM50172432
(2-(2,4-Dichloro-phenoxy)-N-{2-[(2-dimethylamino-et...)Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1 Show InChI InChI=1S/C23H26Cl2N4O2/c1-15-11-22(29(4)10-9-28(2)3)27-20-7-6-17(13-18(15)20)26-23(30)14-31-21-8-5-16(24)12-19(21)25/h5-8,11-13H,9-10,14H2,1-4H3,(H,26,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH2R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50172414
(2-(2,4-Dichloro-phenoxy)-N-[2-(2-dimethylamino-eth...)Show SMILES CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1 Show InChI InChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Inhibitory concentration against muscarinic acetylcholine receptor M2 |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50453029
(CHEMBL4216115)Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C30H29N7O7/c1-16(2)36-15-22(26(40)37(29(36)43)30(11-12-30)28(42)35-21-13-24(38)44-27(21)41)34-25(39)17-7-9-18(10-8-17)32-23-14-31-19-5-3-4-6-20(19)33-23/h3-10,14-16,21,27,41H,11-13H2,1-2H3,(H,32,33)(H,34,39)(H,35,42)/t21-,27?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Nestl� Skin Health R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay |
J Med Chem 61: 4030-4051 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00067
BindingDB Entry DOI: 10.7270/Q2FR006X |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50177280
(CHEMBL203699 | N-(2-(3-(dimethylamino)-2,2-dimethy...)Show SMILES CN(C)CC(C)(C)CNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C26H31F3N4O3/c1-17-12-23(30-15-25(2,3)16-33(4)5)32-22-11-6-18(13-21(17)22)31-24(34)14-35-19-7-9-20(10-8-19)36-26(27,28)29/h6-13H,14-16H2,1-5H3,(H,30,32)(H,31,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay |
Bioorg Med Chem Lett 16: 1070-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 2
(Homo sapiens (Human)) | BDBM50172425
(CHEMBL197026 | N-[2-(4-Amino-piperidin-1-yl)-4-met...)Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(N)CC1 Show InChI InChI=1S/C24H25F3N4O3/c1-15-12-22(31-10-8-16(28)9-11-31)30-21-7-2-17(13-20(15)21)29-23(32)14-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-7,12-13,16H,8-11,14,28H2,1H3,(H,29,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH2R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50177291
(CHEMBL205111 | N-(2-(4-(2-hydroxyethyl)piperazin-1...)Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H27F3N4O4/c1-17-14-23(32-10-8-31(9-11-32)12-13-33)30-22-7-2-18(15-21(17)22)29-24(34)16-35-19-3-5-20(6-4-19)36-25(26,27)28/h2-7,14-15,33H,8-13,16H2,1H3,(H,29,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Inhibition of human MCH1 receptor by SPA assay |
Bioorg Med Chem Lett 16: 1070-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50453944
(CHEMBL4217577)Show SMILES CC(C)(C)[C@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C22H29ClN4O6/c1-22(2,3)17(26-18(29)11-6-7-13(24)12(23)9-11)20(31)27-8-4-5-15(27)19(30)25-14-10-16(28)33-21(14)32/h6-7,9,14-15,17,21,32H,4-5,8,10,24H2,1-3H3,(H,25,30)(H,26,29)/t14-,15-,17+,21?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Edelris
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase1 expressed in Escherichia coli using AC-WEHD-AMC as substrate after 20 mins by fluorescence assay |
Bioorg Med Chem Lett 27: 5373-5377 (2017)
Article DOI: 10.1016/j.bmcl.2017.11.015
BindingDB Entry DOI: 10.7270/Q2377C96 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172440
(2-(2,4-Dichloro-phenoxy)-N-(4-methyl-2-piperazin-1...)Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12)N1CCNCC1 Show InChI InChI=1S/C22H22Cl2N4O2/c1-14-10-21(28-8-6-25-7-9-28)27-19-4-3-16(12-17(14)19)26-22(29)13-30-20-5-2-15(23)11-18(20)24/h2-5,10-12,25H,6-9,13H2,1H3,(H,26,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172441
((E)-N-{2-[(2-Hydroxy-ethyl)-methyl-amino]-4-methyl...)Show SMILES CN(CCO)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C23H22F3N3O3/c1-15-13-21(29(2)11-12-30)28-20-9-6-17(14-19(15)20)27-22(31)10-5-16-3-7-18(8-4-16)32-23(24,25)26/h3-10,13-14,30H,11-12H2,1-2H3,(H,27,31)/b10-5+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Inhibitory concentration against 10 nM MCH-induced IP3 accumulation in CHO-K1 cells expressing human MCH1R after incubation with [3H]-myo-inositol |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50177292
(CHEMBL425407 | N-(4-methyl-2-(2-(piperidin-1-yl)et...)Show SMILES Cc1cc(NCCN2CCCCC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 Show InChI InChI=1S/C26H29F3N4O3/c1-18-15-24(30-11-14-33-12-3-2-4-13-33)32-23-10-5-19(16-22(18)23)31-25(34)17-35-20-6-8-21(9-7-20)36-26(27,28)29/h5-10,15-16H,2-4,11-14,17H2,1H3,(H,30,32)(H,31,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Inhibition of human MCH1 receptor by SPA assay |
Bioorg Med Chem Lett 16: 1070-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50177300
(CHEMBL379886 | N-(2-(2-(dimethylamino)ethylamino)-...)Show SMILES CN(C)CCNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C23H25F3N4O3/c1-15-12-21(27-10-11-30(2)3)29-20-9-4-16(13-19(15)20)28-22(31)14-32-17-5-7-18(8-6-17)33-23(24,25)26/h4-9,12-13H,10-11,14H2,1-3H3,(H,27,29)(H,28,31) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay |
Bioorg Med Chem Lett 16: 1070-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50172443
(2-(2,4-Dichloro-phenoxy)-N-(4-methyl-2-morpholin-4...)Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12)N1CCOCC1 Show InChI InChI=1S/C22H21Cl2N3O3/c1-14-10-21(27-6-8-29-9-7-27)26-19-4-3-16(12-17(14)19)25-22(28)13-30-20-5-2-15(23)11-18(20)24/h2-5,10-12H,6-9,13H2,1H3,(H,25,28) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
7TM Pharma A/S
Curated by ChEMBL
| Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay |
J Med Chem 48: 5684-97 (2005)
Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50453053
(CHEMBL4213802)Show SMILES CC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cn(C)c1=O |r| Show InChI InChI=1S/C27H25N7O7/c1-14(23(36)31-19-11-22(35)41-26(19)39)34-25(38)20(13-33(2)27(34)40)32-24(37)15-7-9-16(10-8-15)29-21-12-28-17-5-3-4-6-18(17)30-21/h3-10,12-14,19,26,39H,11H2,1-2H3,(H,29,30)(H,31,36)(H,32,37)/t14?,19-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nestl� Skin Health R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay |
J Med Chem 61: 4030-4051 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00067
BindingDB Entry DOI: 10.7270/Q2FR006X |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50453052
(CHEMBL4203378)Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(C(C)C(=O)N[C@H]2CC(=O)OC2O)c1=O |r| Show InChI InChI=1S/C17H24Cl2N2O/c1-20(2)15-6-4-5-7-16(15)21(3)17(22)11-12-8-9-13(18)14(19)10-12/h8-10,15-16H,4-7,11H2,1-3H3/t15-,16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nestl� Skin Health R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay |
J Med Chem 61: 4030-4051 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00067
BindingDB Entry DOI: 10.7270/Q2FR006X |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50453053
(CHEMBL4213802)Show SMILES CC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cn(C)c1=O |r| Show InChI InChI=1S/C27H25N7O7/c1-14(23(36)31-19-11-22(35)41-26(19)39)34-25(38)20(13-33(2)27(34)40)32-24(37)15-7-9-16(10-8-15)29-21-12-28-17-5-3-4-6-18(17)30-21/h3-10,12-14,19,26,39H,11H2,1-2H3,(H,29,30)(H,31,36)(H,32,37)/t14?,19-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nestl� Skin Health R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay |
J Med Chem 61: 4030-4051 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00067
BindingDB Entry DOI: 10.7270/Q2FR006X |
More data for this
Ligand-Target Pair | |
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