BDBM50350042 CHEMBL1813450

SMILES: CCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1

InChI Key: InChIKey=WRVNABCHDWROKY-FIRIVFDPSA-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 = 50350042   

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))	BDBM50350042 (CHEMBL1813450) Show SMILES CCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C35H48N4O5/c1-3-4-8-21-39-33(42)30(31(40)26-9-6-5-7-10-26)37-34(43)35(39)19-22-38(23-20-35)24-25-11-15-28(16-12-25)44-29-17-13-27(14-18-29)32(41)36-2/h11-18,26,30-31,40H,3-10,19-24H2,1-2H3,(H,36,41)(H,37,43)/t30-,31-/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	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity 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))	BDBM50350042 (CHEMBL1813450) Show SMILES CCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C35H48N4O5/c1-3-4-8-21-39-33(42)30(31(40)26-9-6-5-7-10-26)37-34(43)35(39)19-22-38(23-20-35)24-25-11-15-28(16-12-25)44-29-17-13-27(14-18-29)32(41)36-2/h11-18,26,30-31,40H,3-10,19-24H2,1-2H3,(H,36,41)(H,37,43)/t30-,31-/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	3.90E+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