BDBM50120315 CHEMBL2367888::Triterpene Glycoside analogue

SMILES: C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](CO[C@H]2O[C@H]2CC[C@@]3(C)C(CCC4C3=C[C@H](O)C35C(=O)O[C@@](C)(C6CCC(C)(C)O6)[C@@]3(O)CC[C@@]45C)C2(C)C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=NXTLSYMVSDURIH-WYYKWHLKSA-N

Data: 1 KI

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 = 50120315   

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))	BDBM50120315 (CHEMBL2367888 | Triterpene Glycoside analogue) Show SMILES C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](CO[C@H]2O[C@H]2CC[C@@]3(C)C(CCC4C3=C[C@H](O)C35C(=O)O[C@@](C)(C6CCC(C)(C)O6)[C@@]3(O)CC[C@@]45C)C2(C)C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |t:24| Show InChI InChI=1S/C47H74O19/c1-20-29(50)32(53)34(55)37(60-20)64-36-31(52)24(62-38-35(56)33(54)30(51)23(18-48)61-38)19-59-39(36)63-27-12-14-43(6)22-17-26(49)47-40(57)66-45(8,28-11-13-41(2,3)65-28)46(47,58)16-15-44(47,7)21(22)9-10-25(43)42(27,4)5/h17,20-21,23-39,48-56,58H,9-16,18-19H2,1-8H3/t20-,21?,23-,24-,25?,26+,27+,28?,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,43-,44+,45+,46+,47?/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human CCR5 chemokine receptor (CCR5) expressed in CHO cells				Bioorg Med Chem Lett 12: 3203-5 (2002) BindingDB Entry DOI: 10.7270/Q2MG7NVR
					More data for this Ligand-Target Pair