BDBM50020092 CHEMBL3288159

SMILES: Cl.CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12

InChI Key: InChIKey=DTQUQQKXRLIXAV-OJYUPXFASA-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 = 50020092   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50020092 (CHEMBL3288159) Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-34(24-8-10-27(36)28(37)21-24,32(45)41-29(31(44)40-16-15-39)20-23-6-4-3-5-7-23)12-17-43-18-13-35(14-19-43)26-22-25(38)9-11-30(26)42(2)33(46)47-35;/h3-11,21-22,29H,12-20,39H2,1-2H3,(H,40,44)(H,41,45);1H/t29-,34-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50020092 (CHEMBL3288159) Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-34(24-8-10-27(36)28(37)21-24,32(45)41-29(31(44)40-16-15-39)20-23-6-4-3-5-7-23)12-17-43-18-13-35(14-19-43)26-22-25(38)9-11-30(26)42(2)33(46)47-35;/h3-11,21-22,29H,12-20,39H2,1-2H3,(H,40,44)(H,41,45);1H/t29-,34-;/m0./s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair