Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50210970'   

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))	BDBM50210970 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O Show InChI InChI=1S/C25H26ClFN4O4/c1-15-12-30(13-16-3-6-18(27)7-4-16)9-10-31(15)21(32)14-35-20-8-5-17(26)11-19(20)29-23-22(28-2)24(33)25(23)34/h3-8,11,15,28-29H,9-10,12-14H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories, Inc. Curated by ChEMBL					Assay Description Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis				Bioorg Med Chem Lett 17: 3367-72 (2007) Article DOI: 10.1016/j.bmcl.2007.03.104 BindingDB Entry DOI: 10.7270/Q2ZW1KK9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50210970 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O Show InChI InChI=1S/C25H26ClFN4O4/c1-15-12-30(13-16-3-6-18(27)7-4-16)9-10-31(15)21(32)14-35-20-8-5-17(26)11-19(20)29-23-22(28-2)24(33)25(23)34/h3-8,11,15,28-29H,9-10,12-14H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR				Bioorg Med Chem Lett 17: 3367-72 (2007) Article DOI: 10.1016/j.bmcl.2007.03.104 BindingDB Entry DOI: 10.7270/Q2ZW1KK9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50210970 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O Show InChI InChI=1S/C25H26ClFN4O4/c1-15-12-30(13-16-3-6-18(27)7-4-16)9-10-31(15)21(32)14-35-20-8-5-17(26)11-19(20)29-23-22(28-2)24(33)25(23)34/h3-8,11,15,28-29H,9-10,12-14H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories, Inc. Curated by ChEMBL					Assay Description Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis				Bioorg Med Chem Lett 17: 3367-72 (2007) Article DOI: 10.1016/j.bmcl.2007.03.104 BindingDB Entry DOI: 10.7270/Q2ZW1KK9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Mus musculus)	BDBM50210970 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O Show InChI InChI=1S/C25H26ClFN4O4/c1-15-12-30(13-16-3-6-18(27)7-4-16)9-10-31(15)21(32)14-35-20-8-5-17(26)11-19(20)29-23-22(28-2)24(33)25(23)34/h3-8,11,15,28-29H,9-10,12-14H2,1-2H3/t15-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	615	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories, Inc. Curated by ChEMBL					Assay Description Binding affinity at mouse CCR1				Bioorg Med Chem Lett 17: 3367-72 (2007) Article DOI: 10.1016/j.bmcl.2007.03.104 BindingDB Entry DOI: 10.7270/Q2ZW1KK9
					More data for this Ligand-Target Pair