BDBM50529598 CHEMBL4436373

SMILES: [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])ccc(-[#6]-[#6@H]-2-[#6@@H](-[#6]-[#6](-[#6])=[#6]-[#6@H]-2-c2c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c3ccc(-[#8])cc3-[#8])c2-[#8])-c2ccc(-[#8])cc2-[#8])c1-[#8]

InChI Key: InChIKey=MHCJLOSJRHLASK-MVSGOCIZSA-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 = 50529598   

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
Tyrosinase (Homo sapiens (Human))	BDBM50529598 (CHEMBL4436373) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])ccc(-[#6]-[#6@H]-2-[#6@@H](-[#6]-[#6](-[#6])=[#6]-[#6@H]-2-c2c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c3ccc(-[#8])cc3-[#8])c2-[#8])-c2ccc(-[#8])cc2-[#8])c1-[#8] |r,c:16| Show InChI InChI=1S/C40H40O9/c1-21(2)4-10-28-33(43)14-7-24(39(28)48)18-31-30(27-11-9-26(42)20-37(27)47)16-22(3)17-32(31)38-35(45)15-12-29(40(38)49)34(44)13-6-23-5-8-25(41)19-36(23)46/h4-9,11-15,17,19-20,30-32,41-43,45-49H,10,16,18H2,1-3H3/b13-6+/t30-,31-,32+/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of tyrosinase (unknown origin)				J Med Chem 61: 7395-7418 (2018) Article DOI: 10.1021/acs.jmedchem.7b00967
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50529598 (CHEMBL4436373) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])ccc(-[#6]-[#6@H]-2-[#6@@H](-[#6]-[#6](-[#6])=[#6]-[#6@H]-2-c2c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c3ccc(-[#8])cc3-[#8])c2-[#8])-c2ccc(-[#8])cc2-[#8])c1-[#8] |r,c:16| Show InChI InChI=1S/C40H40O9/c1-21(2)4-10-28-33(43)14-7-24(39(28)48)18-31-30(27-11-9-26(42)20-37(27)47)16-22(3)17-32(31)38-35(45)15-12-29(40(38)49)34(44)13-6-23-5-8-25(41)19-36(23)46/h4-9,11-15,17,19-20,30-32,41-43,45-49H,10,16,18H2,1-3H3/b13-6+/t30-,31-,32+/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of tyrosinase (unknown origin)				J Med Chem 61: 7395-7418 (2018) Article DOI: 10.1021/acs.jmedchem.7b00967
					More data for this Ligand-Target Pair