BDBM50165581 CHEMBL3799222

SMILES: COC(=O)C(CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)n1Cc1ccc(OC)cc1

InChI Key: InChIKey=ZPCUFYOWDKVSHD-KTOFVPSFSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50165581   

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))	BDBM50165581 (CHEMBL3799222) Show SMILES COC(=O)C(CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)n1Cc1ccc(OC)cc1 |r| Show InChI InChI=1S/C44H55N9O5/c1-27(2)21-34(44(56)58-4)42(54)49-38(22-29-24-47-36-14-7-5-11-32(29)36)40-51-52-41(53(40)26-28-16-18-31(57-3)19-17-28)39(50-43(55)35(46)13-9-10-20-45)23-30-25-48-37-15-8-6-12-33(30)37/h5-8,11-12,14-19,24-25,27,34-35,38-39,47-48H,9-10,13,20-23,26,45-46H2,1-4H3,(H,49,54)(H,50,55)/t34?,35-,38+,39+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	-10.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...				Bioorg Med Chem Lett 26: 2408-12 (2016) Article DOI: 10.1016/j.bmcl.2016.04.003 BindingDB Entry DOI: 10.7270/Q2J9688V
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM50165581 (CHEMBL3799222) Show SMILES COC(=O)C(CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)n1Cc1ccc(OC)cc1 |r| Show InChI InChI=1S/C44H55N9O5/c1-27(2)21-34(44(56)58-4)42(54)49-38(22-29-24-47-36-14-7-5-11-32(29)36)40-51-52-41(53(40)26-28-16-18-31(57-3)19-17-28)39(50-43(55)35(46)13-9-10-20-45)23-30-25-48-37-15-8-6-12-33(30)37/h5-8,11-12,14-19,24-25,27,34-35,38-39,47-48H,9-10,13,20-23,26,45-46H2,1-4H3,(H,49,54)(H,50,55)/t34?,35-,38+,39+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Agonist activity at human GHS-R1a expressed in HEK293T cells after 45 mins by HTRF-based IP3 turnover assay				Bioorg Med Chem Lett 26: 2408-12 (2016) Article DOI: 10.1016/j.bmcl.2016.04.003 BindingDB Entry DOI: 10.7270/Q2J9688V
					More data for this Ligand-Target Pair