BDBM50242056 CHEMBL469856::fuscinarin

SMILES: CC1OC(=O)c2c1c(O)c(O)c1OC(C)(C)CCc21

InChI Key: InChIKey=VXRIEWIAVSRHJN-UHFFFAOYSA-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 = 50242056   

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
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50242056 (CHEMBL469856 | fuscinarin) Show SMILES CC1OC(=O)c2c1c(O)c(O)c1OC(C)(C)CCc21 Show InChI InChI=1S/C14H16O5/c1-6-8-9(13(17)18-6)7-4-5-14(2,3)19-12(7)11(16)10(8)15/h6,15-16H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MIP1alpha binding to human CCR5 receptor				J Nat Prod 67: 1036-8 (2004) Article DOI: 10.1021/np049974l BindingDB Entry DOI: 10.7270/Q29Z94P3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50242056 (CHEMBL469856 | fuscinarin) Show SMILES CC1OC(=O)c2c1c(O)c(O)c1OC(C)(C)CCc21 Show InChI InChI=1S/C14H16O5/c1-6-8-9(13(17)18-6)7-4-5-14(2,3)19-12(7)11(16)10(8)15/h6,15-16H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MerLion Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]human-MIP1alpha from human CCR5 receptor expressed in CHO cells by SPA				J Nat Prod 66: 1116-7 (2003) Article DOI: 10.1021/np030146m BindingDB Entry DOI: 10.7270/Q2VX0G82
					More data for this Ligand-Target Pair