BDBM50430274 CHEMBL2332935

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

InChI Key: InChIKey=JWMBFLXRBZIVNF-IBGZPJMESA-N

Data: 3 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 3 hits for monomerid = 50430274   

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))	BDBM50430274 (CHEMBL2332935) Show SMILES CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H27ClN2O5/c1-15(27)25-20-4-3-18(28)11-22(20)30-14-19(29)13-26-8-6-23(7-9-26)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,19,28-29H,6-9,12-14H2,1H3,(H,25,27)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.360	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 cells after 1.5 hrs				Bioorg Med Chem Lett 23: 1883-6 (2013) Article DOI: 10.1016/j.bmcl.2012.12.095 BindingDB Entry DOI: 10.7270/Q2BG2QBG
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50430274 (CHEMBL2332935) Show SMILES CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H27ClN2O5/c1-15(27)25-20-4-3-18(28)11-22(20)30-14-19(29)13-26-8-6-23(7-9-26)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,19,28-29H,6-9,12-14H2,1H3,(H,25,27)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 3500-4 (2013) Article DOI: 10.1016/j.bmcl.2013.04.047 BindingDB Entry DOI: 10.7270/Q2FJ2J5S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50430274 (CHEMBL2332935) Show SMILES CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r| Show InChI InChI=1S/C23H27ClN2O5/c1-15(27)25-20-4-3-18(28)11-22(20)30-14-19(29)13-26-8-6-23(7-9-26)12-16-10-17(24)2-5-21(16)31-23/h2-5,10-11,19,28-29H,6-9,12-14H2,1H3,(H,25,27)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 1883-6 (2013) Article DOI: 10.1016/j.bmcl.2012.12.095 BindingDB Entry DOI: 10.7270/Q2BG2QBG
					More data for this Ligand-Target Pair