BDBM50506146 CHEMBL4548396

SMILES: CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=FVNQVTADUDKSGZ-UHFFFAOYSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50506146   

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))	BDBM50506146 (CHEMBL4548396) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(5-8-3-4-10(16)11(17)6-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	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 CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method				J Med Chem 62: 11035-11053 (2019) Article DOI: 10.1021/acs.jmedchem.9b00742
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50506146 (CHEMBL4548396) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(5-8-3-4-10(16)11(17)6-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.603	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 CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method				J Med Chem 62: 11035-11053 (2019) Article DOI: 10.1021/acs.jmedchem.9b00742
					More data for this Ligand-Target Pair
CCR5/mu opioid receptor complex (Homo sapiens (Human))	BDBM50506146 (CHEMBL4548396) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(5-8-3-4-10(16)11(17)6-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Antagonist activity at human TEV cleavage site-linked CCR5 expressed in human U2OS cells harboring beta-lactamase reporter gene assessed as inhibitio...				J Med Chem 62: 11035-11053 (2019) Article DOI: 10.1021/acs.jmedchem.9b00742
					More data for this Ligand-Target Pair
CCR5/mu opioid receptor complex (Homo sapiens (Human))	BDBM50506146 (CHEMBL4548396) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(5-8-3-4-10(16)11(17)6-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Antagonist activity at human TEV cleavage site-linked CCR5 expressed in human U2OS cells harboring beta-lactamase reporter gene assessed as inhibitio...				J Med Chem 62: 11035-11053 (2019) Article DOI: 10.1021/acs.jmedchem.9b00742
					More data for this Ligand-Target Pair