BDBM19331 CHEMBL266063::N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}ethyl]piperidine-4-carboxamide::Trisubstituted 1,2,4-Triazole, 39

SMILES: COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1

InChI Key: InChIKey=MUMIOCPFGKBWRY-MGBGTMOVSA-N

Data: 4 IC50  3 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 6 hits for monomerid = 19331   

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
Ghrelin receptor (Homo sapiens (Human))	BDBM19331 (CHEMBL266063 | N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(...) Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r| Show InChI InChI=1S/C36H39N7O2/c1-45-28-13-10-24(11-14-28)23-43-34(15-12-26-21-38-31-8-4-2-6-29(26)31)41-42-35(43)33(40-36(44)25-16-18-37-19-17-25)20-27-22-39-32-9-5-3-7-30(27)32/h2-11,13-14,21-22,25,33,37-39H,12,15-20,23H2,1H3,(H,40,44)/t33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	3	n/a	n/a	n/a	n/a
CNRS					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co...				J Med Chem 50: 5790-5806 (2007) Article DOI: 10.1021/jm0704550 BindingDB Entry DOI: 10.7270/Q2HD7SZ4
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM19331 (CHEMBL266063 | N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(...) Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r| Show InChI InChI=1S/C36H39N7O2/c1-45-28-13-10-24(11-14-28)23-43-34(15-12-26-21-38-31-8-4-2-6-29(26)31)41-42-35(43)33(40-36(44)25-16-18-37-19-17-25)20-27-22-39-32-9-5-3-7-30(27)32/h2-11,13-14,21-22,25,33,37-39H,12,15-20,23H2,1H3,(H,40,44)/t33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
CNRS-Université Montpellier I Curated by ChEMBL					Assay Description Agonist activity at human GHSR1a receptor expressed in CHO cells assessed as intracellular calcium mobilization				Bioorg Med Chem Lett 18: 164-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.113 BindingDB Entry DOI: 10.7270/Q2HM586C
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM19331 (CHEMBL266063 | N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(...) Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r| Show InChI InChI=1S/C36H39N7O2/c1-45-28-13-10-24(11-14-28)23-43-34(15-12-26-21-38-31-8-4-2-6-29(26)31)41-42-35(43)33(40-36(44)25-16-18-37-19-17-25)20-27-22-39-32-9-5-3-7-30(27)32/h2-11,13-14,21-22,25,33,37-39H,12,15-20,23H2,1H3,(H,40,44)/t33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Universités Montpellier 1 Curated by ChEMBL					Assay Description Agonist activity at GHSR1a expressed in CHO cells assessed as accumulation of intracellular calcium level				J Med Chem 51: 689-93 (2008) Article DOI: 10.1021/jm701292s BindingDB Entry DOI: 10.7270/Q2N0168Z
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM19331 (CHEMBL266063 | N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(...) Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r| Show InChI InChI=1S/C36H39N7O2/c1-45-28-13-10-24(11-14-28)23-43-34(15-12-26-21-38-31-8-4-2-6-29(26)31)41-42-35(43)33(40-36(44)25-16-18-37-19-17-25)20-27-22-39-32-9-5-3-7-30(27)32/h2-11,13-14,21-22,25,33,37-39H,12,15-20,23H2,1H3,(H,40,44)/t33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Université Montpellier I Curated by ChEMBL					Assay Description Displacement of [125I]His9-ghrelin from human GHSR1a receptor expressed in LLC PK1 cells				Bioorg Med Chem Lett 18: 164-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.113 BindingDB Entry DOI: 10.7270/Q2HM586C
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM19331 (CHEMBL266063 | N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(...) Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r| Show InChI InChI=1S/C36H39N7O2/c1-45-28-13-10-24(11-14-28)23-43-34(15-12-26-21-38-31-8-4-2-6-29(26)31)41-42-35(43)33(40-36(44)25-16-18-37-19-17-25)20-27-22-39-32-9-5-3-7-30(27)32/h2-11,13-14,21-22,25,33,37-39H,12,15-20,23H2,1H3,(H,40,44)/t33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Universités Montpellier 1 Curated by ChEMBL					Assay Description Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells				J Med Chem 51: 689-93 (2008) Article DOI: 10.1021/jm701292s BindingDB Entry DOI: 10.7270/Q2N0168Z
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM19331 (CHEMBL266063 | N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(...) Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r| Show InChI InChI=1S/C36H39N7O2/c1-45-28-13-10-24(11-14-28)23-43-34(15-12-26-21-38-31-8-4-2-6-29(26)31)41-42-35(43)33(40-36(44)25-16-18-37-19-17-25)20-27-22-39-32-9-5-3-7-30(27)32/h2-11,13-14,21-22,25,33,37-39H,12,15-20,23H2,1H3,(H,40,44)/t33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Université Montpellier I Curated by ChEMBL					Assay Description Antagonist activity at human GHSR1a receptor expressed in CHO cells assessed as reduction of ghrelin-induced intracellular calcium mobilization				Bioorg Med Chem Lett 18: 164-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.113 BindingDB Entry DOI: 10.7270/Q2HM586C
					More data for this Ligand-Target Pair