BDBM50052519 CHEMBL265115::Hexanedioic acid (1-{1-[1-((3-acetylamino-propyl)-{[1-(1-carbamoyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-2-phenyl-ethylcarbamoyl]-2-phenyl-ethylcarbamoyl}-4-guanidino-butyl)-amide methylamide

SMILES: CNC(=O)CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(C)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O

InChI Key: InChIKey=BQXGGHJIKAMQKJ-HECCNADXSA-N

Data: 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 3 hits for monomerid = 50052519   

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
Neurokinin 2 receptor (Rattus norvegicus (Rat))	BDBM50052519 (CHEMBL265115 | Hexanedioic acid (1-{1-[1-((3-acety...) Show SMILES CNC(=O)CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(C)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O Show InChI InChI=1S/C49H76N12O9S/c1-32(2)28-38(46(68)58-36(44(50)66)23-27-71-5)57-43(65)31-61(26-15-25-54-33(3)62)48(70)40(30-35-18-10-7-11-19-35)60-47(69)39(29-34-16-8-6-9-17-34)59-45(67)37(20-14-24-55-49(51)52)56-42(64)22-13-12-21-41(63)53-4/h6-11,16-19,32,36-40H,12-15,20-31H2,1-5H3,(H2,50,66)(H,53,63)(H,54,62)(H,56,64)(H,57,65)(H,58,68)(H,59,67)(H,60,69)(H4,51,52,55)/t36-,37-,38-,39-,40-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 2 in rat vas deferens(RVD)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (GUINEA PIG)	BDBM50052519 (CHEMBL265115 | Hexanedioic acid (1-{1-[1-((3-acety...) Show SMILES CNC(=O)CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(C)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O Show InChI InChI=1S/C49H76N12O9S/c1-32(2)28-38(46(68)58-36(44(50)66)23-27-71-5)57-43(65)31-61(26-15-25-54-33(3)62)48(70)40(30-35-18-10-7-11-19-35)60-47(69)39(29-34-16-8-6-9-17-34)59-45(67)37(20-14-24-55-49(51)52)56-42(64)22-13-12-21-41(63)53-4/h6-11,16-19,32,36-40H,12-15,20-31H2,1-5H3,(H2,50,66)(H,53,63)(H,54,62)(H,56,64)(H,57,65)(H,58,68)(H,59,67)(H,60,69)(H4,51,52,55)/t36-,37-,38-,39-,40-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair
Neurokinin 3 receptor (Rattus norvegicus)	BDBM50052519 (CHEMBL265115 | Hexanedioic acid (1-{1-[1-((3-acety...) Show SMILES CNC(=O)CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(C)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O Show InChI InChI=1S/C49H76N12O9S/c1-32(2)28-38(46(68)58-36(44(50)66)23-27-71-5)57-43(65)31-61(26-15-25-54-33(3)62)48(70)40(30-35-18-10-7-11-19-35)60-47(69)39(29-34-16-8-6-9-17-34)59-45(67)37(20-14-24-55-49(51)52)56-42(64)22-13-12-21-41(63)53-4/h6-11,16-19,32,36-40H,12-15,20-31H2,1-5H3,(H2,50,66)(H,53,63)(H,54,62)(H,56,64)(H,57,65)(H,58,68)(H,59,67)(H,60,69)(H4,51,52,55)/t36-,37-,38-,39-,40-/m0/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Effective concentration to activate Tachykinin receptor 3 in rat portal vein(RPV).				J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ
					More data for this Ligand-Target Pair