BDBM50350049 CHEMBL1813454

SMILES: CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CCOC)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1

InChI Key: InChIKey=JJPISFGHPNDBGV-FQLXRVMXSA-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 = 50350049   

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))	BDBM50350049 (CHEMBL1813454) Show SMILES CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CCOC)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 |r| Show InChI InChI=1S/C33H44N4O6/c1-34-30(39)25-10-14-27(15-11-25)43-26-12-8-23(9-13-26)22-36-18-16-33(17-19-36)32(41)35-28(31(40)37(33)20-21-42-2)29(38)24-6-4-3-5-7-24/h8-15,24,28-29,38H,3-7,16-22H2,1-2H3,(H,34,39)(H,35,41)/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+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
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50350049 (CHEMBL1813454) Show SMILES CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CCOC)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 |r| Show InChI InChI=1S/C33H44N4O6/c1-34-30(39)25-10-14-27(15-11-25)43-26-12-8-23(9-13-26)22-36-18-16-33(17-19-36)32(41)35-28(31(40)37(33)20-21-42-2)29(38)24-6-4-3-5-7-24/h8-15,24,28-29,38H,3-7,16-22H2,1-2H3,(H,34,39)(H,35,41)/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+4	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