BDBM50001595 1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propionylamino]-3-phenyl-propionyl}-pyrrolidine-2-carboxylic acid [1-(1-carbamoyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butyl]-amide::CHEMBL407511

SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O

InChI Key: InChIKey=BWXRCFNZBHEVIO-ZTTXAYQISA-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 = 50001595   

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 1 receptor (GUINEA PIG)	BDBM50001595 (1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propiony...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O Show InChI InChI=1S/C39H57N7O6S/c1-26(2)23-30(36(49)43-29(35(41)48)19-22-53-3)44-38(51)33-17-12-21-46(33)39(52)32(25-28-15-8-5-9-16-28)45-37(50)31(24-27-13-6-4-7-14-27)42-34(47)18-10-11-20-40/h4-9,13-16,26,29-33H,10-12,17-25,40H2,1-3H3,(H2,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Glaxo Group Research Curated by ChEMBL					Assay Description In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.				J Med Chem 35: 4195-204 (1992) BindingDB Entry DOI: 10.7270/Q2NZ8883
					More data for this Ligand-Target Pair
Neurokinin 3 receptor (Rattus norvegicus)	BDBM50001595 (1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propiony...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O Show InChI InChI=1S/C39H57N7O6S/c1-26(2)23-30(36(49)43-29(35(41)48)19-22-53-3)44-38(51)33-17-12-21-46(33)39(52)32(25-28-15-8-5-9-16-28)45-37(50)31(24-27-13-6-4-7-14-27)42-34(47)18-10-11-20-40/h4-9,13-16,26,29-33H,10-12,17-25,40H2,1-3H3,(H2,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33-/m0/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Glaxo Group Research Curated by ChEMBL					Assay Description In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.				J Med Chem 35: 4195-204 (1992) BindingDB Entry DOI: 10.7270/Q2NZ8883
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Rattus norvegicus (Rat))	BDBM50001595 (1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propiony...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O Show InChI InChI=1S/C39H57N7O6S/c1-26(2)23-30(36(49)43-29(35(41)48)19-22-53-3)44-38(51)33-17-12-21-46(33)39(52)32(25-28-15-8-5-9-16-28)45-37(50)31(24-27-13-6-4-7-14-27)42-34(47)18-10-11-20-40/h4-9,13-16,26,29-33H,10-12,17-25,40H2,1-3H3,(H2,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a
Glaxo Group Research Curated by ChEMBL					Assay Description In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.				J Med Chem 35: 4195-204 (1992) BindingDB Entry DOI: 10.7270/Q2NZ8883
					More data for this Ligand-Target Pair