BDBM50203791 (2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}butanediamide::CHEMBL375432

SMILES: CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=GBJYLJSQDWNRJW-RKNDTPCJSA-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 = 50203791   

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
G-protein Coupled Receptor 54 (Homo sapiens (Human))	BDBM50203791 ((2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1...) Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C78H107N19O18/c1-42(2)30-50(80)78(115)97-29-15-23-62(97)77(114)95-60(38-65(83)102)74(111)91-56(34-46-24-26-48(99)27-25-46)71(108)93-58(36-63(81)100)73(110)92-57(35-47-39-85-51-21-12-11-20-49(47)51)72(109)94-59(37-64(82)101)75(112)96-61(41-98)76(113)90-55(33-45-18-9-6-10-19-45)68(105)86-40-66(103)87-54(31-43(3)4)70(107)88-52(22-13-14-28-79)69(106)89-53(67(84)104)32-44-16-7-5-8-17-44/h5-12,16-21,24-27,39,42-43,50,52-62,85,98-99H,13-15,22-23,28-38,40-41,79-80H2,1-4H3,(H2,81,100)(H2,82,101)(H2,83,102)(H2,84,104)(H,86,105)(H,87,103)(H,88,107)(H,89,106)(H,90,113)(H,91,111)(H,92,110)(H,93,108)(H,94,109)(H,95,114)(H,96,112)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Health Science Center Curated by ChEMBL					Assay Description Displacement of [125]metastin from metastin receptor				J Med Chem 50: 462-71 (2007) Article DOI: 10.1021/jm0609824 BindingDB Entry DOI: 10.7270/Q2HT2P0K
					More data for this Ligand-Target Pair
G-protein Coupled Receptor 54 (Homo sapiens (Human))	BDBM50203791 ((2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1...) Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C78H107N19O18/c1-42(2)30-50(80)78(115)97-29-15-23-62(97)77(114)95-60(38-65(83)102)74(111)91-56(34-46-24-26-48(99)27-25-46)71(108)93-58(36-63(81)100)73(110)92-57(35-47-39-85-51-21-12-11-20-49(47)51)72(109)94-59(37-64(82)101)75(112)96-61(41-98)76(113)90-55(33-45-18-9-6-10-19-45)68(105)86-40-66(103)87-54(31-43(3)4)70(107)88-52(22-13-14-28-79)69(106)89-53(67(84)104)32-44-16-7-5-8-17-44/h5-12,16-21,24-27,39,42-43,50,52-62,85,98-99H,13-15,22-23,28-38,40-41,79-80H2,1-4H3,(H2,81,100)(H2,82,101)(H2,83,102)(H2,84,104)(H,86,105)(H,87,103)(H,88,107)(H,89,106)(H,90,113)(H,91,111)(H,92,110)(H,93,108)(H,94,109)(H,95,114)(H,96,112)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1	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	69.8	n/a	n/a	n/a	n/a
University of Minnesota Health Science Center Curated by ChEMBL					Assay Description Activity at metastin receptor expressed in HEK293 cells by measuring calcium release				J Med Chem 50: 462-71 (2007) Article DOI: 10.1021/jm0609824 BindingDB Entry DOI: 10.7270/Q2HT2P0K
					More data for this Ligand-Target Pair