BDBM50001602 2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propionylamino]-3-phenyl-propionyl}-6-oxo-hexahydro-pyrrolo[3,4-b]pyrrol-5-yl)-4-methyl-pentanoic acid (1-carbamoyl-3-methylsulfanyl-propyl)-amide::CHEMBL339391

SMILES: CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O

InChI Key: InChIKey=URIRKOHAMZPMCD-ZOLLQGMZSA-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 = 50001602   

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)	BDBM50001602 (2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...) Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33+,35-/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	3.73E+3	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)	BDBM50001602 (2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...) Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33+,35-/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	>3.00E+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))	BDBM50001602 (2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...) Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33+,35-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	566	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