BDBM50273365 (S)-2-((S)-2-((2S,3R)-2-((S)-3-(1H-indol-3-yl)-2-(2-(methylamino)acetamido)propanamido)-3-hydroxybutanamido)-4-methylpentanamido)-N1-((S)-1-((S)-1-(2-((S)-1-((S)-1-((S)-1-((S)-6-amino-1-((S)-6-amino-1-((S)-1-((S)-1,6-diamino-1-oxohexan-2-ylamino)-1-oxo-6-palmitamidohexan-2-ylamino)-1-oxohexan-2-ylamino)-1-oxohexan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-ylamino)-2-oxoethylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-oxopropan-2-yl::CHEMBL524892

SMILES: CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=BEJMLCDPLQEJMU-SIZCXABRSA-N

Data: 2 KI

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 = 50273365   

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
GALR1 (Homo sapiens (Human))	BDBM50273365 ((S)-2-((S)-2-((2S,3R)-2-((S)-3-(1H-indol-3-yl)-2-(...) Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C97H164N22O20/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-40-81(124)104-48-33-29-39-72(87(129)110-69(85(102)127)36-26-30-45-98)112-88(130)70(37-27-31-46-99)111-89(131)71(38-28-32-47-100)113-90(132)73(49-59(2)3)114-91(133)74(50-60(4)5)115-93(135)76(52-64-41-43-66(122)44-42-64)108-83(126)57-106-86(128)62(8)107-96(138)79(58-120)118-94(136)78(54-80(101)123)116-92(134)75(51-61(6)7)117-97(139)84(63(9)121)119-95(137)77(109-82(125)56-103-10)53-65-55-105-68-35-25-24-34-67(65)68/h24-25,34-35,41-44,55,59-63,69-79,84,103,105,120-122H,11-23,26-33,36-40,45-54,56-58,98-100H2,1-10H3,(H2,101,123)(H2,102,127)(H,104,124)(H,106,128)(H,107,138)(H,108,126)(H,109,125)(H,110,129)(H,111,131)(H,112,130)(H,113,132)(H,114,133)(H,115,135)(H,116,134)(H,117,139)(H,118,136)(H,119,137)/t62-,63+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	307	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Displacement of europium-labeled galanin from human GalR1 expressed in HEK293 EBNA cells				J Med Chem 51: 8038-47 (2008) Article DOI: 10.1021/jm801088x BindingDB Entry DOI: 10.7270/Q22B8ZXD
					More data for this Ligand-Target Pair
Galanin receptor 2 (Homo sapiens (Human))	BDBM50273365 ((S)-2-((S)-2-((2S,3R)-2-((S)-3-(1H-indol-3-yl)-2-(...) Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C97H164N22O20/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-40-81(124)104-48-33-29-39-72(87(129)110-69(85(102)127)36-26-30-45-98)112-88(130)70(37-27-31-46-99)111-89(131)71(38-28-32-47-100)113-90(132)73(49-59(2)3)114-91(133)74(50-60(4)5)115-93(135)76(52-64-41-43-66(122)44-42-64)108-83(126)57-106-86(128)62(8)107-96(138)79(58-120)118-94(136)78(54-80(101)123)116-92(134)75(51-61(6)7)117-97(139)84(63(9)121)119-95(137)77(109-82(125)56-103-10)53-65-55-105-68-35-25-24-34-67(65)68/h24-25,34-35,41-44,55,59-63,69-79,84,103,105,120-122H,11-23,26-33,36-40,45-54,56-58,98-100H2,1-10H3,(H2,101,123)(H2,102,127)(H,104,124)(H,106,128)(H,107,138)(H,108,126)(H,109,125)(H,110,129)(H,111,131)(H,112,130)(H,113,132)(H,114,133)(H,115,135)(H,116,134)(H,117,139)(H,118,136)(H,119,137)/t62-,63+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Displacement of europium-labeled galanin from human GalR2 expressed in CHO-K1 cells				J Med Chem 51: 8038-47 (2008) Article DOI: 10.1021/jm801088x BindingDB Entry DOI: 10.7270/Q22B8ZXD
					More data for this Ligand-Target Pair