null

SMILES: C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O

InChI Key: InChIKey=NJIUIOIOXNZKIA-HXUWFJFHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50210971   

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 (Mus musculus)	BDBM50210971 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O Show InChI InChI=1S/C30H36ClFN6O4/c1-20-17-37(18-21-2-5-23(32)6-3-21)14-15-38(20)26(39)19-42-25-7-4-22(31)16-24(25)35-28-27(29(40)30(28)41)34-10-13-36-11-8-33-9-12-36/h2-7,16,20,33-35H,8-15,17-19H2,1H3/t20-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+3	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
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50210971 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O Show InChI InChI=1S/C30H36ClFN6O4/c1-20-17-37(18-21-2-5-23(32)6-3-21)14-15-38(20)26(39)19-42-25-7-4-22(31)16-24(25)35-28-27(29(40)30(28)41)34-10-13-36-11-8-33-9-12-36/h2-7,16,20,33-35H,8-15,17-19H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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))	BDBM50210971 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O Show InChI InChI=1S/C30H36ClFN6O4/c1-20-17-37(18-21-2-5-23(32)6-3-21)14-15-38(20)26(39)19-42-25-7-4-22(31)16-24(25)35-28-27(29(40)30(28)41)34-10-13-36-11-8-33-9-12-36/h2-7,16,20,33-35H,8-15,17-19H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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
Macrophage inflammatory protein-1 alpha receptor (Rattus norvegicus)	BDBM50210971 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O Show InChI InChI=1S/C30H36ClFN6O4/c1-20-17-37(18-21-2-5-23(32)6-3-21)14-15-38(20)26(39)19-42-25-7-4-22(31)16-24(25)35-28-27(29(40)30(28)41)34-10-13-36-11-8-33-9-12-36/h2-7,16,20,33-35H,8-15,17-19H2,1H3/t20-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories, Inc. Curated by ChEMBL					Assay Description Binding affinity at rat 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
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50210971 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O Show InChI InChI=1S/C30H36ClFN6O4/c1-20-17-37(18-21-2-5-23(32)6-3-21)14-15-38(20)26(39)19-42-25-7-4-22(31)16-24(25)35-28-27(29(40)30(28)41)34-10-13-36-11-8-33-9-12-36/h2-7,16,20,33-35H,8-15,17-19H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	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