BDBM50217504 CHEMBL353284

SMILES: COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(CC2)NC(=O)Cc2ccccc32)(C1)c1ccc(F)cc1

InChI Key: InChIKey=OWDUVTPJISEXQB-UMSFTDKQSA-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 = 50217504   

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 (GUINEA PIG)	BDBM50217504 (CHEMBL353284) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(CC2)NC(=O)Cc2ccccc32)(C1)c1ccc(F)cc1 Show InChI InChI=1S/C34H38FN3O6/c1-41-28-18-24(19-29(42-2)31(28)43-3)32(40)38-21-34(44-22-38,25-8-10-26(35)11-9-25)14-17-37-15-12-33(13-16-37)27-7-5-4-6-23(27)20-30(39)36-33/h4-11,18-19H,12-17,20-22H2,1-3H3,(H,36,39)/t34-/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	29	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
Neurokinin 2 receptor (GUINEA PIG)	BDBM50217504 (CHEMBL353284) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CO[C@@](CCN2CCC3(CC2)NC(=O)Cc2ccccc32)(C1)c1ccc(F)cc1 Show InChI InChI=1S/C34H38FN3O6/c1-41-28-18-24(19-29(42-2)31(28)43-3)32(40)38-21-34(44-22-38,25-8-10-26(35)11-9-25)14-17-37-15-12-33(13-16-37)27-7-5-4-6-23(27)20-30(39)36-33/h4-11,18-19H,12-17,20-22H2,1-3H3,(H,36,39)/t34-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.20	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