BDBM50077215 2-(2-carboxylatobenzyloxy)-5-{1-[3-carboxylato-4-(2-carboxylatobenzyloxy)-5-chlorophenyl]-4-[1-(1,5-dimethylhexyl)-9a,11a-dimethylperhydrocyclopenta[a]phenanthren-7-yl]-1-butenyl}-3-chlorobenzoate::3'',3'''-Dichloro-4'',4'''-bis(m-carboxybenzyloxy)-5'',5'''-dicarboxy-4',4'-diphenyl-3beta-[1-(3'-butenyl)]cholestane Tetrasodium salt::CHEMBL3138134

SMILES: [Na+].[Na+].[Na+].[Na+].[H][C@@]12[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6])[C@@]1([#6])[#6]-[#6][C@@]1([H])[C@@]2([H])[#6]-[#6]-[#6]2-[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](\c3cc(Cl)c(-[#8]-[#6]-c4ccccc4-[#6](-[#8-])=O)c(c3)-[#6](-[#8-])=O)-c3cc(Cl)c(-[#8]-[#6]-c4ccccc4-[#6](-[#8-])=O)c(c3)-[#6](-[#8-])=O)-[#6]-[#6][C@]12[#6]

InChI Key: InChIKey=QCXYTTBAHPAEHL-CMULBIKTSA-J

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 = 50077215   

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 1 (Homo sapiens (Human))	BDBM50077215 (2-(2-carboxylatobenzyloxy)-5-{1-[3-carboxylato-4-(...) Show SMILES [Na+].[Na+].[Na+].[Na+].[H][C@@]12[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6])[C@@]1([#6])[#6]-[#6][C@@]1([H])[C@@]2([H])[#6]-[#6]-[#6]2-[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](\c3cc(Cl)c(-[#8]-[#6]-c4ccccc4-[#6](-[#8-])=O)c(c3)-[#6](-[#8-])=O)-c3cc(Cl)c(-[#8]-[#6]-c4ccccc4-[#6](-[#8-])=O)c(c3)-[#6](-[#8-])=O)-[#6]-[#6][C@]12[#6] Show InChI InChI=1S/C61H72Cl2O10.4Na/c1-35(2)12-10-13-36(3)49-22-23-50-46-21-20-42-28-37(24-26-60(42,4)51(46)25-27-61(49,50)5)14-11-19-43(40-29-47(58(68)69)54(52(62)31-40)72-33-38-15-6-8-17-44(38)56(64)65)41-30-48(59(70)71)55(53(63)32-41)73-34-39-16-7-9-18-45(39)57(66)67;;;;/h6-9,15-19,29-32,35-37,42,46,49-51H,10-14,20-28,33-34H2,1-5H3,(H,64,65)(H,66,67)(H,68,69)(H,70,71);;;;/q;4*+1/p-4/t36?,37-,42?,46-,49+,50-,51-,60-,61+;;;;/m0..../s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Istitute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Inhibition of RANTES-induced migration of human embryonic kidney (CCR1/HEK) cell transfectants				Bioorg Med Chem Lett 11: 59-62 (2001) BindingDB Entry DOI: 10.7270/Q2XW4J3F
					More data for this Ligand-Target Pair