BDBM50401340 CHEMBL1976682

SMILES: BrCc1ccc2ccc3ccc(CBr)nc3c2n1

InChI Key: InChIKey=DGDBWGQSYCEWHT-UHFFFAOYSA-N

Data: 3 IC50  4 EC50

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 7 hits for monomerid = 50401340   

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))	BDBM50401340 (CHEMBL1976682) Show SMILES BrCc1ccc2ccc3ccc(CBr)nc3c2n1 Show InChI InChI=1S/C14H10Br2N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)18-14(10)13(9)17-11/h1-6H,7-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [125I]-CCL3 from human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50401340 (CHEMBL1976682) Show SMILES BrCc1ccc2ccc3ccc(CBr)nc3c2n1 Show InChI InChI=1S/C14H10Br2N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)18-14(10)13(9)17-11/h1-6H,7-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50401340 (CHEMBL1976682) Show SMILES BrCc1ccc2ccc3ccc(CBr)nc3c2n1 Show InChI InChI=1S/C14H10Br2N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)18-14(10)13(9)17-11/h1-6H,7-8H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50401340 (CHEMBL1976682) Show SMILES BrCc1ccc2ccc3ccc(CBr)nc3c2n1 Show InChI InChI=1S/C14H10Br2N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)18-14(10)13(9)17-11/h1-6H,7-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation coun...				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50401340 (CHEMBL1976682) Show SMILES BrCc1ccc2ccc3ccc(CBr)nc3c2n1 Show InChI InChI=1S/C14H10Br2N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)18-14(10)13(9)17-11/h1-6H,7-8H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [125I]-CCL3 from human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50401340 (CHEMBL1976682) Show SMILES BrCc1ccc2ccc3ccc(CBr)nc3c2n1 Show InChI InChI=1S/C14H10Br2N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)18-14(10)13(9)17-11/h1-6H,7-8H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation coun...				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50401340 (CHEMBL1976682) Show SMILES BrCc1ccc2ccc3ccc(CBr)nc3c2n1 Show InChI InChI=1S/C14H10Br2N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)18-14(10)13(9)17-11/h1-6H,7-8H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [125I]-CCL3 from human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs				J Med Chem 55: 8164-77 (2012) Article DOI: 10.1021/jm301121j BindingDB Entry DOI: 10.7270/Q2Q81F7S
					More data for this Ligand-Target Pair