BDBM50247742 CHEMBL509154::[(1R,2R,6R,10S,11R,15S,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-(prop-1-en-2-yl)-12,14,18-trioxapentacyclo[11.4.1.0^{1,10}.0^{2,6}.0^{11,15}]octadeca-3,8-dien-8-yl]methyl 2-(3-fluoro-4-methanesulfonamidophenyl)acetate

SMILES: C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(NS(C)(=O)=O)c(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C

InChI Key: InChIKey=QHNXXGZEMHKOBL-GGIHZKEUSA-N

Data: 1 KI  1 EC50

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 = 50247742   

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
Vanilloid receptor (Rattus norvegicus (rat))	BDBM50247742 (CHEMBL509154 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...) Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(NS(C)(=O)=O)c(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,42,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1| Show InChI InChI=1S/C37H40FNO9S/c1-21(2)35-17-23(4)37-27(33(35)46-36(47-35,48-37)19-24-9-7-6-8-10-24)14-26(18-34(42)30(37)13-22(3)32(34)41)20-45-31(40)16-25-11-12-29(28(38)15-25)39-49(5,43)44/h6-15,23,27,30,33,39,42H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35+,36?,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system				Bioorg Med Chem 17: 690-8 (2009) Article DOI: 10.1016/j.bmc.2008.11.085 BindingDB Entry DOI: 10.7270/Q2CJ8FCW
					More data for this Ligand-Target Pair
Vanilloid receptor (Rattus norvegicus (rat))	BDBM50247742 (CHEMBL509154 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...) Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(NS(C)(=O)=O)c(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,42,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1| Show InChI InChI=1S/C37H40FNO9S/c1-21(2)35-17-23(4)37-27(33(35)46-36(47-35,48-37)19-24-9-7-6-8-10-24)14-26(18-34(42)30(37)13-22(3)32(34)41)20-45-31(40)16-25-11-12-29(28(38)15-25)39-49(5,43)44/h6-15,23,27,30,33,39,42H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35+,36?,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.45	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as calcium uptake				Bioorg Med Chem 17: 690-8 (2009) Article DOI: 10.1016/j.bmc.2008.11.085 BindingDB Entry DOI: 10.7270/Q2CJ8FCW
					More data for this Ligand-Target Pair