Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 352.2 BDBM50506123

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

Found 4 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 2 (Homo sapiens (Human))	BDBM50506123 (CHEMBL4516788) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-11(5-8-3-9(16)6-10(17)4-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method				J Med Chem 62: 11035-11053 (2019) Article DOI: 10.1021/acs.jmedchem.9b00742 BindingDB Entry DOI: 10.7270/Q2QR51DD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50506123 (CHEMBL4516788) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-11(5-8-3-9(16)6-10(17)4-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method				J Med Chem 62: 11035-11053 (2019) Article DOI: 10.1021/acs.jmedchem.9b00742 BindingDB Entry DOI: 10.7270/Q2QR51DD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50506123 (CHEMBL4516788) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-11(5-8-3-9(16)6-10(17)4-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	323	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Antagonist activity at human TEV cleavage site-linked CCR5 expressed in human U2OS cells harboring beta-lactamase reporter gene assessed as inhibitio...				J Med Chem 62: 11035-11053 (2019) Article DOI: 10.1021/acs.jmedchem.9b00742 BindingDB Entry DOI: 10.7270/Q2QR51DD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50506123 (CHEMBL4516788) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-11(5-8-3-9(16)6-10(17)4-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Antagonist activity at human TEV cleavage site-linked CCR5 expressed in human U2OS cells harboring beta-lactamase reporter gene assessed as inhibitio...				J Med Chem 62: 11035-11053 (2019) Article DOI: 10.1021/acs.jmedchem.9b00742 BindingDB Entry DOI: 10.7270/Q2QR51DD
					More data for this Ligand-Target Pair