BDBM50518075 CHEMBL4577133

SMILES: CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Br)cc1F

InChI Key: InChIKey=ARZUMHIABDHPTN-UHFFFAOYSA-N

Data: 4 KI  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 8 hits for monomerid = 50518075   

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 2 (Homo sapiens (Human))	BDBM50518075 (CHEMBL4577133) Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Br)cc1F |c:3| Show InChI InChI=1S/C18H19BrFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcripti...				J Med Chem 61: 9146-9161 (2018) Article DOI: 10.1021/acs.jmedchem.8b00605
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50518075 (CHEMBL4577133) Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Br)cc1F |c:3| Show InChI InChI=1S/C18H19BrFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcripti...				J Med Chem 61: 9146-9161 (2018) Article DOI: 10.1021/acs.jmedchem.8b00605
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518075 (CHEMBL4577133) Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Br)cc1F |c:3| Show InChI InChI=1S/C18H19BrFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR1 expressed in human U20S cell membranes co-expressing Gal4-VP16 transcriptio...				J Med Chem 61: 9146-9161 (2018) Article DOI: 10.1021/acs.jmedchem.8b00605
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518075 (CHEMBL4577133) Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Br)cc1F |c:3| Show InChI InChI=1S/C18H19BrFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR1 expressed in human U20S cell membranes co-expressing Gal4-VP16 transcriptio...				J Med Chem 61: 9146-9161 (2018) Article DOI: 10.1021/acs.jmedchem.8b00605
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50518075 (CHEMBL4577133) Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Br)cc1F |c:3| Show InChI InChI=1S/C18H19BrFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Antagonist activity at human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcription factor asses...				J Med Chem 61: 9146-9161 (2018) Article DOI: 10.1021/acs.jmedchem.8b00605
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50518075 (CHEMBL4577133) Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Br)cc1F |c:3| Show InChI InChI=1S/C18H19BrFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Antagonist activity at human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcription factor asses...				J Med Chem 61: 9146-9161 (2018) Article DOI: 10.1021/acs.jmedchem.8b00605
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518075 (CHEMBL4577133) Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Br)cc1F |c:3| Show InChI InChI=1S/C18H19BrFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Antagonist activity at human TEV protease site linked CCR1 expressed in human U20S cell membranes co-expressing Gal4-VP16 transcription factor assess...				J Med Chem 61: 9146-9161 (2018) Article DOI: 10.1021/acs.jmedchem.8b00605
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518075 (CHEMBL4577133) Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Br)cc1F |c:3| Show InChI InChI=1S/C18H19BrFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Antagonist activity at human TEV protease site linked CCR1 expressed in human U20S cell membranes co-expressing Gal4-VP16 transcription factor assess...				J Med Chem 61: 9146-9161 (2018) Article DOI: 10.1021/acs.jmedchem.8b00605
					More data for this Ligand-Target Pair