Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 643.7 BDBM160932

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM160932 (US9107954, 3) Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(N)=O)cc1 |r,TLB:17:16:12.13:15.10.9,THB:8:9:16:12.13| Show InChI InChI=1S/C33H47F2N7O4/c1-20(2)31-40-39-21(3)42(31)27-16-25-8-9-26(17-27)41(25)15-12-28(38-32(45)23-10-13-33(34,35)14-11-23)22-4-6-24(7-5-22)37-30(44)19-46-18-29(36)43/h4-7,20,23,25-28H,8-19H2,1-3H3,(H2,36,43)(H,37,44)(H,38,45)/t25?,26?,27?,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description Afterwards, the pharmacological profile of bivalent ligand 1 at the chemokine receptor CCR5 was characterized similarly. The competitive radioligand ...				US Patent US9107954 (2015) BindingDB Entry DOI: 10.7270/Q27943D1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM160932 (US9107954, 3) Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(N)=O)cc1 |r,TLB:17:16:12.13:15.10.9,THB:8:9:16:12.13| Show InChI InChI=1S/C33H47F2N7O4/c1-20(2)31-40-39-21(3)42(31)27-16-25-8-9-26(17-27)41(25)15-12-28(38-32(45)23-10-13-33(34,35)14-11-23)22-4-6-24(7-5-22)37-30(44)19-46-18-29(36)43/h4-7,20,23,25-28H,8-19H2,1-3H3,(H2,36,43)(H,37,44)(H,38,45)/t25?,26?,27?,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	622	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description Then the Ca2+ functional activity of bivalent ligand 1 was evaluated in the Gqi5 transfected CCR5-MOLT-4 cells as described in the literature.3 As ex...				US Patent US9107954 (2015) BindingDB Entry DOI: 10.7270/Q27943D1
					More data for this Ligand-Target Pair