BDBM50355374 CHEMBL1835843

SMILES: FC(F)(F)c1cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCC(=O)N(C2CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F

InChI Key: InChIKey=XJMWWALONVOUBI-LHEWISCISA-N

Data: 2 KI  1 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 3 hits for monomerid = 50355374   

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 (Homo sapiens (Human))	BDBM50355374 (CHEMBL1835843) Show SMILES FC(F)(F)c1cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCC(=O)N(C2CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C43H42F6N4O4/c44-42(45,46)32-23-30(24-33(26-32)43(47,48)49)28-57-41(56)38(25-31-27-50-37-14-8-7-13-36(31)37)51-39(54)15-16-40(55)53(34-11-5-2-6-12-34)35-18-21-52(22-19-35)20-17-29-9-3-1-4-10-29/h1-14,23-24,26-27,35,38,50H,15-22,25,28H2,(H,51,54)/t38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting				Bioorg Med Chem 19: 6135-42 (2011) Article DOI: 10.1016/j.bmc.2011.08.027 BindingDB Entry DOI: 10.7270/Q2B56K4J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50355374 (CHEMBL1835843) Show SMILES FC(F)(F)c1cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCC(=O)N(C2CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C43H42F6N4O4/c44-42(45,46)32-23-30(24-33(26-32)43(47,48)49)28-57-41(56)38(25-31-27-50-37-14-8-7-13-36(31)37)51-39(54)15-16-40(55)53(34-11-5-2-6-12-34)35-18-21-52(22-19-35)20-17-29-9-3-1-4-10-29/h1-14,23-24,26-27,35,38,50H,15-22,25,28H2,(H,51,54)/t38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells by liquid scintillation counting				Bioorg Med Chem 19: 6135-42 (2011) Article DOI: 10.1016/j.bmc.2011.08.027 BindingDB Entry DOI: 10.7270/Q2B56K4J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50355374 (CHEMBL1835843) Show SMILES FC(F)(F)c1cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCC(=O)N(C2CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C43H42F6N4O4/c44-42(45,46)32-23-30(24-33(26-32)43(47,48)49)28-57-41(56)38(25-31-27-50-37-14-8-7-13-36(31)37)51-39(54)15-16-40(55)53(34-11-5-2-6-12-34)35-18-21-52(22-19-35)20-17-29-9-3-1-4-10-29/h1-14,23-24,26-27,35,38,50H,15-22,25,28H2,(H,51,54)/t38-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig ileum/longitudinal muscle with myenteric plexus assessed as inhibition of PL-017-induced...				Bioorg Med Chem 19: 6135-42 (2011) Article DOI: 10.1016/j.bmc.2011.08.027 BindingDB Entry DOI: 10.7270/Q2B56K4J
					More data for this Ligand-Target Pair