BDBM50518094 CHEMBL4450561

SMILES: OC1=C(C(C2CCCCC2)N(C1=O)c1ccc(Br)cc1F)C(=O)C1CC1

InChI Key: InChIKey=RNACQQZSXILTHA-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 = 50518094   

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))	BDBM50518094 (CHEMBL4450561) Show SMILES OC1=C(C(C2CCCCC2)N(C1=O)c1ccc(Br)cc1F)C(=O)C1CC1 |t:1| Show InChI InChI=1S/C20H21BrFNO3/c21-13-8-9-15(14(22)10-13)23-17(11-4-2-1-3-5-11)16(19(25)20(23)26)18(24)12-6-7-12/h8-12,17,25H,1-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	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))	BDBM50518094 (CHEMBL4450561) Show SMILES OC1=C(C(C2CCCCC2)N(C1=O)c1ccc(Br)cc1F)C(=O)C1CC1 |t:1| Show InChI InChI=1S/C20H21BrFNO3/c21-13-8-9-15(14(22)10-13)23-17(11-4-2-1-3-5-11)16(19(25)20(23)26)18(24)12-6-7-12/h8-12,17,25H,1-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40	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))	BDBM50518094 (CHEMBL4450561) Show SMILES OC1=C(C(C2CCCCC2)N(C1=O)c1ccc(Br)cc1F)C(=O)C1CC1 |t:1| Show InChI InChI=1S/C20H21BrFNO3/c21-13-8-9-15(14(22)10-13)23-17(11-4-2-1-3-5-11)16(19(25)20(23)26)18(24)12-6-7-12/h8-12,17,25H,1-7H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid 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 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))	BDBM50518094 (CHEMBL4450561) Show SMILES OC1=C(C(C2CCCCC2)N(C1=O)c1ccc(Br)cc1F)C(=O)C1CC1 |t:1| Show InChI InChI=1S/C20H21BrFNO3/c21-13-8-9-15(14(22)10-13)23-17(11-4-2-1-3-5-11)16(19(25)20(23)26)18(24)12-6-7-12/h8-12,17,25H,1-7H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid 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 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))	BDBM50518094 (CHEMBL4450561) Show SMILES OC1=C(C(C2CCCCC2)N(C1=O)c1ccc(Br)cc1F)C(=O)C1CC1 |t:1| Show InChI InChI=1S/C20H21BrFNO3/c21-13-8-9-15(14(22)10-13)23-17(11-4-2-1-3-5-11)16(19(25)20(23)26)18(24)12-6-7-12/h8-12,17,25H,1-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	933	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))	BDBM50518094 (CHEMBL4450561) Show SMILES OC1=C(C(C2CCCCC2)N(C1=O)c1ccc(Br)cc1F)C(=O)C1CC1 |t:1| Show InChI InChI=1S/C20H21BrFNO3/c21-13-8-9-15(14(22)10-13)23-17(11-4-2-1-3-5-11)16(19(25)20(23)26)18(24)12-6-7-12/h8-12,17,25H,1-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	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 2 (Homo sapiens (Human))	BDBM50518094 (CHEMBL4450561) Show SMILES OC1=C(C(C2CCCCC2)N(C1=O)c1ccc(Br)cc1F)C(=O)C1CC1 |t:1| Show InChI InChI=1S/C20H21BrFNO3/c21-13-8-9-15(14(22)10-13)23-17(11-4-2-1-3-5-11)16(19(25)20(23)26)18(24)12-6-7-12/h8-12,17,25H,1-7H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	288	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))	BDBM50518094 (CHEMBL4450561) Show SMILES OC1=C(C(C2CCCCC2)N(C1=O)c1ccc(Br)cc1F)C(=O)C1CC1 |t:1| Show InChI InChI=1S/C20H21BrFNO3/c21-13-8-9-15(14(22)10-13)23-17(11-4-2-1-3-5-11)16(19(25)20(23)26)18(24)12-6-7-12/h8-12,17,25H,1-7H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	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