BDBM50081935 (alpha)-H-Arg-Pro-Lys-pro-Gln-Gln-Phe-{2-[5-((S)-1-amino-2-phenylethyl)-1,2,4-oxadiazol-3-yl]acetyl}-Leu-Met-NH2::(beta)-H-Arg-Pro-Lys-pro-Gln-Gln-Phe-{2-[5-((S)-1-amino-2-phenylethyl)-1,2,4-oxadiazol-3-yl]acetyl}-Leu-Met-NH2::CHEMBL413904

SMILES: CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)Cc1noc(n1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N

InChI Key: InChIKey=LUEXLYIXJBAQAC-CUZNLEPHSA-N

Data: 2 IC50

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 = 50081935   

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 (Rattus norvegicus (rat))	BDBM50081935 ((alpha)-H-Arg-Pro-Lys-pro-Gln-Gln-Phe-{2-[5-((S)-1...) Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)Cc1noc(n1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N Show InChI InChI=1S/C63H96N18O12S/c1-37(2)33-45(75-54(85)40(65)27-32-94-3)50(82)36-53-78-60(93-79-53)47(35-39-17-8-5-9-18-39)77-57(88)46(34-38-15-6-4-7-16-38)76-56(87)42(23-25-51(67)83)72-55(86)43(24-26-52(68)84)73-58(89)49-22-14-31-81(49)62(92)44(20-10-11-28-64)74-59(90)48-21-13-30-80(48)61(91)41(66)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-66H2,1-3H3,(H2,67,83)(H2,68,84)(H,72,86)(H,73,89)(H,74,90)(H,75,85)(H,76,87)(H,77,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	307	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Rattus norvegicus (rat))	BDBM50081935 ((alpha)-H-Arg-Pro-Lys-pro-Gln-Gln-Phe-{2-[5-((S)-1...) Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)Cc1noc(n1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N Show InChI InChI=1S/C63H96N18O12S/c1-37(2)33-45(75-54(85)40(65)27-32-94-3)50(82)36-53-78-60(93-79-53)47(35-39-17-8-5-9-18-39)77-57(88)46(34-38-15-6-4-7-16-38)76-56(87)42(23-25-51(67)83)72-55(86)43(24-26-52(68)84)73-58(89)49-22-14-31-81(49)62(92)44(20-10-11-28-64)74-59(90)48-21-13-30-80(48)61(91)41(66)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-66H2,1-3H3,(H2,67,83)(H2,68,84)(H,72,86)(H,73,89)(H,74,90)(H,75,85)(H,76,87)(H,77,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair