BDBM50217509 CHEMBL354731

SMILES: COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(C[S+]([O-])c4ccccc34)CC2)(C1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=LQSUAQGHNGOZSB-WPTVCOTBSA-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 = 50217509   

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 2 receptor (GUINEA PIG)	BDBM50217509 (CHEMBL354731) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(C[S+]([O-])c4ccccc34)CC2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H36Cl2N2O6S/c1-40-27-16-22(17-28(41-2)30(27)42-3)31(38)37-19-33(43-21-37,23-8-9-25(34)26(35)18-23)12-15-36-13-10-32(11-14-36)20-44(39)29-7-5-4-6-24(29)32/h4-9,16-18H,10-15,19-21H2,1-3H3/t33-,44?/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 2 (NK2) receptor from guinea pig ileum				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (GUINEA PIG)	BDBM50217509 (CHEMBL354731) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(C[S+]([O-])c4ccccc34)CC2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H36Cl2N2O6S/c1-40-27-16-22(17-28(41-2)30(27)42-3)31(38)37-19-33(43-21-37,23-8-9-25(34)26(35)18-23)12-15-36-13-10-32(11-14-36)20-44(39)29-7-5-4-6-24(29)32/h4-9,16-18H,10-15,19-21H2,1-3H3/t33-,44?/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung				Bioorg Med Chem Lett 9: 875-80 (1999) BindingDB Entry DOI: 10.7270/Q2PN97TF
					More data for this Ligand-Target Pair