BDBM50007822 2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propionylamino]-3-phenyl-propionylamino}-acetylamino)-4-methyl-pentanoic acid [1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide::CHEMBL2372954

SMILES: CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=JYMKJUIWSQVJBP-BBACVFHCSA-N

Data: 4 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 4 hits for monomerid = 50007822   

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)	BDBM50007822 (2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,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	892	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Agonistic activity at neurokinin-1 (NK-1) receptor in guinea pig ileum longitudinal smooth muscle				J Med Chem 33: 1848-51 (1990) BindingDB Entry DOI: 10.7270/Q2668C5C
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Rattus norvegicus (Rat))	BDBM50007822 (2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,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	>100	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Agonistic activity at neurokinin-1 (NK-1) receptor in guinea pig ileum longitudinal smooth muscle				J Med Chem 33: 1848-51 (1990) BindingDB Entry DOI: 10.7270/Q2668C5C
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (GUINEA PIG)	BDBM50007822 (2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,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	>100	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae				J Med Chem 33: 1848-51 (1990) BindingDB Entry DOI: 10.7270/Q2668C5C
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Rattus norvegicus (Rat))	BDBM50007822 (2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,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	>1.60E+4	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Agonist activity was measured at neurokinin-2 receptor in the rat colon muscularis mucosae				J Med Chem 33: 1848-51 (1990) BindingDB Entry DOI: 10.7270/Q2668C5C
					More data for this Ligand-Target Pair