null

SMILES: C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1cc2cc(Cl)cc(NC(C)=O)c2o1

InChI Key: InChIKey=KLJZRXRGXVOHNC-CQSZACIVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50174717   

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))	BDBM50174717 ((R)-N-(2-(1-(4-fluorobenzyl)-3-methylpiperazine-4-...) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1cc2cc(Cl)cc(NC(C)=O)c2o1 Show InChI InChI=1S/C23H23ClFN3O3/c1-14-12-27(13-16-3-5-19(25)6-4-16)7-8-28(14)23(30)21-10-17-9-18(24)11-20(22(17)31-21)26-15(2)29/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H,26,29)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity at rat CCR1 in CHO-K1 cells				Bioorg Med Chem Lett 15: 5160-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.057 BindingDB Entry DOI: 10.7270/Q2C53MMD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Mus musculus)	BDBM50174717 ((R)-N-(2-(1-(4-fluorobenzyl)-3-methylpiperazine-4-...) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1cc2cc(Cl)cc(NC(C)=O)c2o1 Show InChI InChI=1S/C23H23ClFN3O3/c1-14-12-27(13-16-3-5-19(25)6-4-16)7-8-28(14)23(30)21-10-17-9-18(24)11-20(22(17)31-21)26-15(2)29/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H,26,29)/t14-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity at mouse CCR1 in CHO-K1 cells				Bioorg Med Chem Lett 15: 5160-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.057 BindingDB Entry DOI: 10.7270/Q2C53MMD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50174717 ((R)-N-(2-(1-(4-fluorobenzyl)-3-methylpiperazine-4-...) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1cc2cc(Cl)cc(NC(C)=O)c2o1 Show InChI InChI=1S/C23H23ClFN3O3/c1-14-12-27(13-16-3-5-19(25)6-4-16)7-8-28(14)23(30)21-10-17-9-18(24)11-20(22(17)31-21)26-15(2)29/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H,26,29)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity at human CCR1 in CHO-K1 cells				Bioorg Med Chem Lett 15: 5160-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.057 BindingDB Entry DOI: 10.7270/Q2C53MMD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50174717 ((R)-N-(2-(1-(4-fluorobenzyl)-3-methylpiperazine-4-...) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1cc2cc(Cl)cc(NC(C)=O)c2o1 Show InChI InChI=1S/C23H23ClFN3O3/c1-14-12-27(13-16-3-5-19(25)6-4-16)7-8-28(14)23(30)21-10-17-9-18(24)11-20(22(17)31-21)26-15(2)29/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H,26,29)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonistic activity at human CCR1 by inhibition of MIP-1alpha induced calcium mobilization in THP1 cells				Bioorg Med Chem Lett 15: 5160-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.057 BindingDB Entry DOI: 10.7270/Q2C53MMD
					More data for this Ligand-Target Pair