BDBM50545037 CHEMBL4633175

SMILES: [H][C@@]12[#8]-[#6](=O)-c3ccccc3-[#7]1-[#6@@H](\[#6]=[#6]\[#6])[C@@]([H])([#6@@H](-[#7]-c1ccccc1-[#6](-[#8])=O)-c1c3-[#8]C([#6])([#6])[#6@@H](-[#8])-[#6](=O)-c3cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1\[#6]=[#6]\[#6]=[#6]\[#6])c1c(-[#6]\[#6]=[#6](\[#6])-[#6])cc3-[#6](=O)-[#6@@H](-[#8])C([#6])([#6])[#8]-c3c21

InChI Key: InChIKey=XRTQQWGKSFIWFH-NKNUFQFVSA-N

Data: 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 1 hit for monomerid = 50545037   

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
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50545037 (CHEMBL4633175) Show SMILES [H][C@@]12[#8]-[#6](=O)-c3ccccc3-[#7]1-[#6@@H](\[#6]=[#6]\[#6])[C@@]([H])([#6@@H](-[#7]-c1ccccc1-[#6](-[#8])=O)-c1c3-[#8]C([#6])([#6])[#6@@H](-[#8])-[#6](=O)-c3cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1\[#6]=[#6]\[#6]=[#6]\[#6])c1c(-[#6]\[#6]=[#6](\[#6])-[#6])cc3-[#6](=O)-[#6@@H](-[#8])C([#6])([#6])[#8]-c3c21 |r| Show InChI InChI=1S/C58H62N2O10/c1-11-13-14-20-35-33(27-25-31(3)4)29-38-48(61)52(63)57(7,8)69-50(38)44(35)47(59-40-23-17-15-21-36(40)55(65)66)45-42(19-12-2)60-41-24-18-16-22-37(41)56(67)68-54(60)46-43(45)34(28-26-32(5)6)30-39-49(62)53(64)58(9,10)70-51(39)46/h11-26,29-30,42,45,47,52-54,59,63-64H,27-28H2,1-10H3,(H,65,66)/b13-11+,19-12+,20-14+/t42-,45+,47-,52-,53+,54-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair