Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 457.9 BDBM50444995

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 1 (Homo sapiens (Human))	BDBM50444995 (CHEMBL3099954) Show SMILES O[C@H](COc1cccc2c1[nH]c(=O)[nH]c2=O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H24ClN3O5/c24-15-4-5-18-14(10-15)11-23(32-18)6-8-27(9-7-23)12-16(28)13-31-19-3-1-2-17-20(19)25-22(30)26-21(17)29/h1-5,10,16,28H,6-9,11-13H2,(H2,25,26,29,30)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cell membranes after 1.5 hrs by microbeta counting analysis				Bioorg Med Chem Lett 24: 108-12 (2013) Article DOI: 10.1016/j.bmcl.2013.11.062 BindingDB Entry DOI: 10.7270/Q28K7BJX
					More data for this Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor (Rattus norvegicus)	BDBM50444995 (CHEMBL3099954) Show SMILES O[C@H](COc1cccc2c1[nH]c(=O)[nH]c2=O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H24ClN3O5/c24-15-4-5-18-14(10-15)11-23(32-18)6-8-27(9-7-23)12-16(28)13-31-19-3-1-2-17-20(19)25-22(30)26-21(17)29/h1-5,10,16,28H,6-9,11-13H2,(H2,25,26,29,30)/t16-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from rat CCR1				Bioorg Med Chem Lett 24: 108-12 (2013) Article DOI: 10.1016/j.bmcl.2013.11.062 BindingDB Entry DOI: 10.7270/Q28K7BJX
					More data for this Ligand-Target Pair