BDBM50350039 CHEMBL1813452

SMILES: CCCCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1

InChI Key: InChIKey=PQYBXNRMHWLMRW-CZNDPXEESA-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 = 50350039   

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))	BDBM50350039 (CHEMBL1813452) Show SMILES CCCCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C37H52N4O5/c1-3-4-5-6-10-23-41-35(44)32(33(42)28-11-8-7-9-12-28)39-36(45)37(41)21-24-40(25-22-37)26-27-13-17-30(18-14-27)46-31-19-15-29(16-20-31)34(43)38-2/h13-20,28,32-33,42H,3-12,21-26H2,1-2H3,(H,38,43)(H,39,45)/t32-,33-/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	1.90E+5	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))	BDBM50350039 (CHEMBL1813452) Show SMILES CCCCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C37H52N4O5/c1-3-4-5-6-10-23-41-35(44)32(33(42)28-11-8-7-9-12-28)39-36(45)37(41)21-24-40(25-22-37)26-27-13-17-30(18-14-27)46-31-19-15-29(16-20-31)34(43)38-2/h13-20,28,32-33,42H,3-12,21-26H2,1-2H3,(H,38,43)(H,39,45)/t32-,33-/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	3.16E+5	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