BDBM50174713 CHEMBL198852::N-(2-(3-(4-(4-fluorobenzyl)piperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide

SMILES: CC(=O)Nc1cc(Cl)ccc1\C=C\C(=O)N1CCN(Cc2ccc(F)cc2)CC1

InChI Key: InChIKey=VRHDKJQVCPDYJB-WEVVVXLNSA-N

Data: 4 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 4 hits for monomerid = 50174713   

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))	BDBM50174713 (CHEMBL198852 | N-(2-(3-(4-(4-fluorobenzyl)piperazi...) Show SMILES CC(=O)Nc1cc(Cl)ccc1\C=C\C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H23ClFN3O2/c1-16(28)25-21-14-19(23)6-4-18(21)5-9-22(29)27-12-10-26(11-13-27)15-17-2-7-20(24)8-3-17/h2-9,14H,10-13,15H2,1H3,(H,25,28)/b9-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	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
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50174713 (CHEMBL198852 | N-(2-(3-(4-(4-fluorobenzyl)piperazi...) Show SMILES CC(=O)Nc1cc(Cl)ccc1\C=C\C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H23ClFN3O2/c1-16(28)25-21-14-19(23)6-4-18(21)5-9-22(29)27-12-10-26(11-13-27)15-17-2-7-20(24)8-3-17/h2-9,14H,10-13,15H2,1H3,(H,25,28)/b9-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	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)	BDBM50174713 (CHEMBL198852 | N-(2-(3-(4-(4-fluorobenzyl)piperazi...) Show SMILES CC(=O)Nc1cc(Cl)ccc1\C=C\C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H23ClFN3O2/c1-16(28)25-21-14-19(23)6-4-18(21)5-9-22(29)27-12-10-26(11-13-27)15-17-2-7-20(24)8-3-17/h2-9,14H,10-13,15H2,1H3,(H,25,28)/b9-5+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	448	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))	BDBM50174713 (CHEMBL198852 | N-(2-(3-(4-(4-fluorobenzyl)piperazi...) Show SMILES CC(=O)Nc1cc(Cl)ccc1\C=C\C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H23ClFN3O2/c1-16(28)25-21-14-19(23)6-4-18(21)5-9-22(29)27-12-10-26(11-13-27)15-17-2-7-20(24)8-3-17/h2-9,14H,10-13,15H2,1H3,(H,25,28)/b9-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	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