BDBM50152808 (R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[(2-thiophen-2-yl-ethylamino)-methyl]-phenyl}-piperazin-1-yl)-ethyl]-amide::(R)-N-((R)-3-(4-chlorophenyl)-1-oxo-1-(4-(2-((2-(thiophen-2-yl)ethylamino)methyl)phenyl)piperazin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide::4-(2R)-[(3R)-1,2,3,4-tetrahydroisoquinolinylcarboxamido]-3-(4-chlorophenyl)propionyl-1-[2[2-(2-thienyl)-ethylaminomethyl]methyl]phenyl piperazine::CHEMBL366706::NBI-55886
SMILES: Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
InChI Key: InChIKey=JSSBJZNAQLSMID-CZNDPXEESA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50152808 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc Curated by PDSP Ki Database | J Pharmacol Exp Ther 313: 1281-8 (2005) Article DOI: 10.1124/jpet.105.083337 BindingDB Entry DOI: 10.7270/Q2154FMM | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50152808 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 11 | 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 MC4 receptor | Bioorg Med Chem Lett 18: 4817-22 (2008) Article DOI: 10.1016/j.bmcl.2008.07.076 BindingDB Entry DOI: 10.7270/Q24T6J75 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50152808 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 11 | 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 [125]NDP-MSH from human MC4 receptor expressed in HEK293 cells | J Med Chem 47: 6821-30 (2004) Article DOI: 10.1021/jm049278i BindingDB Entry DOI: 10.7270/Q2610ZSQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50152808 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 11 | 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]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor | Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50152808 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 11 | 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 melanocortin 4 receptor expressed in HEK 293 cells using [125I]NDP-MSH | Bioorg Med Chem Lett 15: 833-7 (2005) Article DOI: 10.1016/j.bmcl.2004.10.096 BindingDB Entry DOI: 10.7270/Q23T9GQF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50152808 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc. Curated by ChEMBL | Assay Description Tested for inhibition of binding to MC4 receptor | Bioorg Med Chem Lett 14: 5605-9 (2004) Article DOI: 10.1016/j.bmcl.2004.08.055 BindingDB Entry DOI: 10.7270/Q2DB82K8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human)) | BDBM50152808 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 240 | 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]NDP-MSH from HEK293 cells expressing human melanocortin-5 receptor | Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 3 (Homo sapiens (Human)) | BDBM50152808 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.80E+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 Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-3 receptor | Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocyte-stimulating hormone receptor (Homo sapiens (Human)) | BDBM50152808 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.00E+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 Displacement of [125I]-NDP-MSH from HEK293 cells expressing human melanocortin-1 receptor | Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50152808 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc. Curated by ChEMBL | Assay Description Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as stimulation of cAMP production | J Med Chem 47: 6821-30 (2004) Article DOI: 10.1021/jm049278i BindingDB Entry DOI: 10.7270/Q2610ZSQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50152808 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 357 | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc. Curated by ChEMBL | Assay Description Effective concentration against cAMP release in CHO cells expressing human melanocortin-4 receptor | Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH | |||||||||||
More data for this Ligand-Target Pair |