BDBM50518083 CHEMBL4475389

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

InChI Key: InChIKey=VQNLJXWZGVRLBA-UHFFFAOYSA-N

Data: 4 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50518083   

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))	BDBM50518083 (CHEMBL4475389) Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Cl)cc1F |c:3| Show InChI InChI=1S/C18H19ClFNO3/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	Purchase PC cid PC sid PDB UniChem	PDB 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 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				3D Structure (crystal)
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50518083 (CHEMBL4475389) Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Cl)cc1F |c:3| Show InChI InChI=1S/C18H19ClFNO3/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	Purchase PC cid PC sid PDB UniChem	PDB 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 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				3D Structure (crystal)
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518083 (CHEMBL4475389) Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Cl)cc1F |c:3| Show InChI InChI=1S/C18H19ClFNO3/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	Purchase PC cid PC sid PDB UniChem	Article PubMed	15	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))	BDBM50518083 (CHEMBL4475389) Show SMILES CC(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(Cl)cc1F |c:3| Show InChI InChI=1S/C18H19ClFNO3/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	Purchase PC cid PC sid PDB UniChem	Article PubMed	15	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