Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 409.5 BDBM50276090

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))	BDBM50276090 (CHEMBL469542 | N-((1S)-3-(4-(3,5-dimethyl-4H-1,2,4...) Show SMILES CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)n1c(C)nnc1C |r| Show InChI InChI=1S/C24H35N5O/c1-17(28-14-12-22(13-15-28)29-18(2)26-27-19(29)3)16-23(20-8-5-4-6-9-20)25-24(30)21-10-7-11-21/h4-6,8-9,17,21-23H,7,10-16H2,1-3H3,(H,25,30)/t17?,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...				Bioorg Med Chem Lett 19: 1075-9 (2009) Article DOI: 10.1016/j.bmcl.2009.01.009 BindingDB Entry DOI: 10.7270/Q27M08VH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50276090 (CHEMBL469542 | N-((1S)-3-(4-(3,5-dimethyl-4H-1,2,4...) Show SMILES CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)n1c(C)nnc1C |r| Show InChI InChI=1S/C24H35N5O/c1-17(28-14-12-22(13-15-28)29-18(2)26-27-19(29)3)16-23(20-8-5-4-6-9-20)25-24(30)21-10-7-11-21/h4-6,8-9,17,21-23H,7,10-16H2,1-3H3,(H,25,30)/t17?,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	849	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 19: 1075-9 (2009) Article DOI: 10.1016/j.bmcl.2009.01.009 BindingDB Entry DOI: 10.7270/Q27M08VH
					More data for this Ligand-Target Pair