BDBM50355377 CHEMBL1835845

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

InChI Key: InChIKey=ISKBUGHVJHBDHX-LHEWISCISA-N

Data: 2 KI

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 = 50355377   

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))	BDBM50355377 (CHEMBL1835845) Show SMILES FC(F)(F)c1cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)COCC(=O)N(C2CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C43H42F6N4O5/c44-42(45,46)32-21-30(22-33(24-32)43(47,48)49)26-58-41(56)38(23-31-25-50-37-14-8-7-13-36(31)37)51-39(54)27-57-28-40(55)53(34-11-5-2-6-12-34)35-16-19-52(20-17-35)18-15-29-9-3-1-4-10-29/h1-14,21-22,24-25,35,38,50H,15-20,23,26-28H2,(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	31	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))	BDBM50355377 (CHEMBL1835845) Show SMILES FC(F)(F)c1cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)COCC(=O)N(C2CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C43H42F6N4O5/c44-42(45,46)32-21-30(22-33(24-32)43(47,48)49)26-58-41(56)38(23-31-25-50-37-14-8-7-13-36(31)37)51-39(54)27-57-28-40(55)53(34-11-5-2-6-12-34)35-16-19-52(20-17-35)18-15-29-9-3-1-4-10-29/h1-14,21-22,24-25,35,38,50H,15-20,23,26-28H2,(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	400	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