BDBM50396896 CHEMBL2170693

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O

InChI Key: InChIKey=ZFYMCRVLLKOPKA-XDOKRNFKSA-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 = 50396896   

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))	BDBM50396896 (CHEMBL2170693) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r| Show InChI InChI=1S/C49H65N9O6S/c1-29(2)22-38(44(52)59)54-46(61)39(23-30(3)4)56-49(64)42(26-33-28-65-43-20-11-9-17-35(33)43)58-47(62)40(24-31-14-6-5-7-15-31)57-48(63)41(55-45(60)36(51)18-12-13-21-50)25-32-27-53-37-19-10-8-16-34(32)37/h5-11,14-17,19-20,27-30,36,38-42,53H,12-13,18,21-26,50-51H2,1-4H3,(H2,52,59)(H,54,61)(H,55,60)(H,56,64)(H,57,63)(H,58,62)/t36-,38-,39-,40-,41+,42+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Leipzig Curated by ChEMBL					Assay Description Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7 cells incubated for 75 mins by scintillation counting based assay				J Med Chem 55: 7437-49 (2012) Article DOI: 10.1021/jm300414b BindingDB Entry DOI: 10.7270/Q26M37Z8
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM50396896 (CHEMBL2170693) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r| Show InChI InChI=1S/C49H65N9O6S/c1-29(2)22-38(44(52)59)54-46(61)39(23-30(3)4)56-49(64)42(26-33-28-65-43-20-11-9-17-35(33)43)58-47(62)40(24-31-14-6-5-7-15-31)57-48(63)41(55-45(60)36(51)18-12-13-21-50)25-32-27-53-37-19-10-8-16-34(32)37/h5-11,14-17,19-20,27-30,36,38-42,53H,12-13,18,21-26,50-51H2,1-4H3,(H2,52,59)(H,54,61)(H,55,60)(H,56,64)(H,57,63)(H,58,62)/t36-,38-,39-,40-,41+,42+/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	>1.00E+3	n/a	n/a	n/a	n/a
Universit£t Leipzig Curated by ChEMBL					Assay Description Activation of human ghrelin receptor expressed in COS 7 cells using [2-3H]myo-inositol by inositol triphosphate turnover assay				J Med Chem 55: 7437-49 (2012) Article DOI: 10.1021/jm300414b BindingDB Entry DOI: 10.7270/Q26M37Z8
					More data for this Ligand-Target Pair