BDBM50193829 CHEMBL425442::N-(2-(1H-indol-3-yl)ethyl)-4-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-4-oxobutanamide

SMILES: O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12

InChI Key: InChIKey=PZWWUMRKSGYBFR-BJKOFHAPSA-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 = 50193829   

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 3 (Homo sapiens (Human))	BDBM50193829 (CHEMBL425442 | N-(2-(1H-indol-3-yl)ethyl)-4-((3R,8...) Show SMILES O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H34N4O2/c33-27(29-15-14-22-18-30-26-11-5-4-10-25(22)26)12-13-28(34)32-20-23-9-6-16-31(23)19-24(32)17-21-7-2-1-3-8-21/h1-5,7-8,10-11,18,23-24,30H,6,9,12-17,19-20H2,(H,29,33)/t23-,24+/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))	BDBM50193829 (CHEMBL425442 | N-(2-(1H-indol-3-yl)ethyl)-4-((3R,8...) Show SMILES O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H34N4O2/c33-27(29-15-14-22-18-30-26-11-5-4-10-25(22)26)12-13-28(34)32-20-23-9-6-16-31(23)19-24(32)17-21-7-2-1-3-8-21/h1-5,7-8,10-11,18,23-24,30H,6,9,12-17,19-20H2,(H,29,33)/t23-,24+/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 4 (Homo sapiens (Human))	BDBM50193829 (CHEMBL425442 | N-(2-(1H-indol-3-yl)ethyl)-4-((3R,8...) Show SMILES O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H34N4O2/c33-27(29-15-14-22-18-30-26-11-5-4-10-25(22)26)12-13-28(34)32-20-23-9-6-16-31(23)19-24(32)17-21-7-2-1-3-8-21/h1-5,7-8,10-11,18,23-24,30H,6,9,12-17,19-20H2,(H,29,33)/t23-,24+/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))	BDBM50193829 (CHEMBL425442 | N-(2-(1H-indol-3-yl)ethyl)-4-((3R,8...) Show SMILES O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H34N4O2/c33-27(29-15-14-22-18-30-26-11-5-4-10-25(22)26)12-13-28(34)32-20-23-9-6-16-31(23)19-24(32)17-21-7-2-1-3-8-21/h1-5,7-8,10-11,18,23-24,30H,6,9,12-17,19-20H2,(H,29,33)/t23-,24+/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
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50193829 (CHEMBL425442 | N-(2-(1H-indol-3-yl)ethyl)-4-((3R,8...) Show SMILES O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H34N4O2/c33-27(29-15-14-22-18-30-26-11-5-4-10-25(22)26)12-13-28(34)32-20-23-9-6-16-31(23)19-24(32)17-21-7-2-1-3-8-21/h1-5,7-8,10-11,18,23-24,30H,6,9,12-17,19-20H2,(H,29,33)/t23-,24+/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
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50193829 (CHEMBL425442 | N-(2-(1H-indol-3-yl)ethyl)-4-((3R,8...) Show SMILES O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H34N4O2/c33-27(29-15-14-22-18-30-26-11-5-4-10-25(22)26)12-13-28(34)32-20-23-9-6-16-31(23)19-24(32)17-21-7-2-1-3-8-21/h1-5,7-8,10-11,18,23-24,30H,6,9,12-17,19-20H2,(H,29,33)/t23-,24+/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 5 (MC5R) (Homo sapiens (Human))	BDBM50193829 (CHEMBL425442 | N-(2-(1H-indol-3-yl)ethyl)-4-((3R,8...) Show SMILES O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H34N4O2/c33-27(29-15-14-22-18-30-26-11-5-4-10-25(22)26)12-13-28(34)32-20-23-9-6-16-31(23)19-24(32)17-21-7-2-1-3-8-21/h1-5,7-8,10-11,18,23-24,30H,6,9,12-17,19-20H2,(H,29,33)/t23-,24+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	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
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50193829 (CHEMBL425442 | N-(2-(1H-indol-3-yl)ethyl)-4-((3R,8...) Show SMILES O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H34N4O2/c33-27(29-15-14-22-18-30-26-11-5-4-10-25(22)26)12-13-28(34)32-20-23-9-6-16-31(23)19-24(32)17-21-7-2-1-3-8-21/h1-5,7-8,10-11,18,23-24,30H,6,9,12-17,19-20H2,(H,29,33)/t23-,24+/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