BDBM50193831 CHEMBL218558::N-(6-((3S,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-6-oxohexyl)-3-(1H-indol-3-yl)propanamide

SMILES: O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1

InChI Key: InChIKey=RERDNSGJFYIBFA-SVBPBHIXSA-N

Data: 4 IC50  4 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50193831   

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 5 (MC5R) (Homo sapiens (Human))	BDBM50193831 (CHEMBL218558 | N-(6-((3S,8aS)-3-benzyl-hexahydropy...) Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C31H40N4O2/c36-30(17-16-25-21-33-29-14-7-6-13-28(25)29)32-18-8-2-5-15-31(37)35-23-26-12-9-19-34(26)22-27(35)20-24-10-3-1-4-11-24/h1,3-4,6-7,10-11,13-14,21,26-27,33H,2,5,8-9,12,15-20,22-23H2,(H,32,36)/t26-,27-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50193831 (CHEMBL218558 | N-(6-((3S,8aS)-3-benzyl-hexahydropy...) Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C31H40N4O2/c36-30(17-16-25-21-33-29-14-7-6-13-28(25)29)32-18-8-2-5-15-31(37)35-23-26-12-9-19-34(26)22-27(35)20-24-10-3-1-4-11-24/h1,3-4,6-7,10-11,13-14,21,26-27,33H,2,5,8-9,12,15-20,22-23H2,(H,32,36)/t26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50193831 (CHEMBL218558 | N-(6-((3S,8aS)-3-benzyl-hexahydropy...) Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C31H40N4O2/c36-30(17-16-25-21-33-29-14-7-6-13-28(25)29)32-18-8-2-5-15-31(37)35-23-26-12-9-19-34(26)22-27(35)20-24-10-3-1-4-11-24/h1,3-4,6-7,10-11,13-14,21,26-27,33H,2,5,8-9,12,15-20,22-23H2,(H,32,36)/t26-,27-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Activity at human MC3R expressed in HEK293 cells assessed by measuring intracellular cAMP accumulation				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50193831 (CHEMBL218558 | N-(6-((3S,8aS)-3-benzyl-hexahydropy...) Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C31H40N4O2/c36-30(17-16-25-21-33-29-14-7-6-13-28(25)29)32-18-8-2-5-15-31(37)35-23-26-12-9-19-34(26)22-27(35)20-24-10-3-1-4-11-24/h1,3-4,6-7,10-11,13-14,21,26-27,33H,2,5,8-9,12,15-20,22-23H2,(H,32,36)/t26-,27-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Activity at human MC5R expressed in HEK293 cells assessed by measuring intracellular cAMP accumulation				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50193831 (CHEMBL218558 | N-(6-((3S,8aS)-3-benzyl-hexahydropy...) Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C31H40N4O2/c36-30(17-16-25-21-33-29-14-7-6-13-28(25)29)32-18-8-2-5-15-31(37)35-23-26-12-9-19-34(26)22-27(35)20-24-10-3-1-4-11-24/h1,3-4,6-7,10-11,13-14,21,26-27,33H,2,5,8-9,12,15-20,22-23H2,(H,32,36)/t26-,27-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50193831 (CHEMBL218558 | N-(6-((3S,8aS)-3-benzyl-hexahydropy...) Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C31H40N4O2/c36-30(17-16-25-21-33-29-14-7-6-13-28(25)29)32-18-8-2-5-15-31(37)35-23-26-12-9-19-34(26)22-27(35)20-24-10-3-1-4-11-24/h1,3-4,6-7,10-11,13-14,21,26-27,33H,2,5,8-9,12,15-20,22-23H2,(H,32,36)/t26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Activity at human MC1R expressed in HEK293 cells assessed by measuring intracellular cAMP accumulation				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50193831 (CHEMBL218558 | N-(6-((3S,8aS)-3-benzyl-hexahydropy...) Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C31H40N4O2/c36-30(17-16-25-21-33-29-14-7-6-13-28(25)29)32-18-8-2-5-15-31(37)35-23-26-12-9-19-34(26)22-27(35)20-24-10-3-1-4-11-24/h1,3-4,6-7,10-11,13-14,21,26-27,33H,2,5,8-9,12,15-20,22-23H2,(H,32,36)/t26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Activity at human MC4R expressed in HEK293 cells assessed by measuring intracellular cAMP accumulation				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50193831 (CHEMBL218558 | N-(6-((3S,8aS)-3-benzyl-hexahydropy...) Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C31H40N4O2/c36-30(17-16-25-21-33-29-14-7-6-13-28(25)29)32-18-8-2-5-15-31(37)35-23-26-12-9-19-34(26)22-27(35)20-24-10-3-1-4-11-24/h1,3-4,6-7,10-11,13-14,21,26-27,33H,2,5,8-9,12,15-20,22-23H2,(H,32,36)/t26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells				Bioorg Med Chem Lett 16: 5462-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.015 BindingDB Entry DOI: 10.7270/Q2XD11BD
					More data for this Ligand-Target Pair