BDBM50070382 CHEMBL3408731

SMILES: [H][C@@]1(Cc2ccccc2CN(CC(=O)N(CC(C)C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C

InChI Key: InChIKey=MSVRFNSSYWFYIU-XFQWPLCWSA-N

Data: 1 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 2 hits for monomerid = 50070382   

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))	BDBM50070382 (CHEMBL3408731) Show SMILES [H][C@@]1(Cc2ccccc2CN(CC(=O)N(CC(C)C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C42H52F6N8O5/c1-23(2)19-55(20-26-14-29(41(43,44)45)17-30(15-26)42(46,47)48)36(58)22-56-21-28-9-6-5-8-27(28)16-35(39(56)61)54-38(60)34(10-7-11-52-40(50)51)53-37(59)33(49)18-32-24(3)12-31(57)13-25(32)4/h5-6,8-9,12-15,17,23,33-35,57H,7,10-11,16,18-22,49H2,1-4H3,(H,53,59)(H,54,60)(H4,50,51,52)/t33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting analysis				Eur J Med Chem 92: 64-77 (2015) Article DOI: 10.1016/j.ejmech.2014.12.033 BindingDB Entry DOI: 10.7270/Q2M90BCC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50070382 (CHEMBL3408731) Show SMILES [H][C@@]1(Cc2ccccc2CN(CC(=O)N(CC(C)C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C42H52F6N8O5/c1-23(2)19-55(20-26-14-29(41(43,44)45)17-30(15-26)42(46,47)48)36(58)22-56-21-28-9-6-5-8-27(28)16-35(39(56)61)54-38(60)34(10-7-11-52-40(50)51)53-37(59)33(49)18-32-24(3)12-31(57)13-25(32)4/h5-6,8-9,12-15,17,23,33-35,57H,7,10-11,16,18-22,49H2,1-4H3,(H,53,59)(H,54,60)(H4,50,51,52)/t33-,34+,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Activation of DOR in mouse vas deferens				Eur J Med Chem 92: 64-77 (2015) Article DOI: 10.1016/j.ejmech.2014.12.033 BindingDB Entry DOI: 10.7270/Q2M90BCC
					More data for this Ligand-Target Pair