BDBM50350054 CHEMBL1813440

SMILES: CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCCC1

InChI Key: InChIKey=NQNWJSGCFKHRLI-LOYHVIPDSA-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 = 50350054   

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))	BDBM50350054 (CHEMBL1813440) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCCC1 |r| Show InChI InChI=1S/C34H45N3O6/c1-2-3-20-37-31(39)29(30(38)25-8-6-4-5-7-9-25)35-33(42)34(37)18-21-36(22-19-34)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)32(40)41/h10-17,25,29-30,38H,2-9,18-23H2,1H3,(H,35,42)(H,40,41)/t29-,30-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350054 (CHEMBL1813440) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCCC1 |r| Show InChI InChI=1S/C34H45N3O6/c1-2-3-20-37-31(39)29(30(38)25-8-6-4-5-7-9-25)35-33(42)34(37)18-21-36(22-19-34)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)32(40)41/h10-17,25,29-30,38H,2-9,18-23H2,1H3,(H,35,42)(H,40,41)/t29-,30-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
					More data for this Ligand-Target Pair