BDBM50445007 CHEMBL3099942

SMILES: CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1

InChI Key: InChIKey=SBOAUFSJWHZZRA-SFHVURJKSA-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 = 50445007   

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 1 (Homo sapiens (Human))	BDBM50445007 (CHEMBL3099942) Show SMILES CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H28ClN3O5/c1-25-22(30)26-19-4-3-17(28)11-21(19)31-14-18(29)13-27-8-6-23(7-9-27)12-15-10-16(24)2-5-20(15)32-23/h2-5,10-11,18,28-29H,6-9,12-14H2,1H3,(H2,25,26,30)/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	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
C-C chemokine receptor type 1 (Rattus norvegicus)	BDBM50445007 (CHEMBL3099942) Show SMILES CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H28ClN3O5/c1-25-22(30)26-19-4-3-17(28)11-21(19)31-14-18(29)13-27-8-6-23(7-9-27)12-15-10-16(24)2-5-20(15)32-23/h2-5,10-11,18,28-29H,6-9,12-14H2,1H3,(H2,25,26,30)/t18-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+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