BDBM50506122 CHEMBL4531005

SMILES: CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl

InChI Key: InChIKey=KLBHHUODQVCBKX-UHFFFAOYSA-N

Data: 2 KI  3 IC50  12 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 17 hits for monomerid = 50506122   

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))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	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 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))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	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 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))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(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	n/a	n/a	4.5	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GT...				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))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Non-competitive insurmountable antagonist activity at human CCR2 expressed in human U2OS cell membranes assessed as EC50 for CCL2-stimulated [35S]GTP...				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))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Non-competitive insurmountable antagonist activity at human CCR2 expressed in human U2OS cell membranes assessed as EC50 for CCL2-stimulated [35S]GTP...				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))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Non-competitive insurmountable antagonist activity at human CCR2 expressed in human U2OS cell membranes assessed as EC50 for CCL2-stimulated [35S]GTP...				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))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(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	n/a	n/a	5	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTP...				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))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(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	8.40E+4	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))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(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	n/a	n/a	7.20	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GT...				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))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Non-competitive insurmountable antagonist activity at human CCR2 expressed in human U2OS cell membranes assessed as pEC50 for CCL2-stimulated [35S]GT...				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))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Non-competitive insurmountable antagonist activity at human CCR2 expressed in human U2OS cell membranes assessed as pEC50 for CCL2-stimulated [35S]GT...				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))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(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	n/a	n/a	7.20	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GT...				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))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(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	n/a	n/a	8	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTP...				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))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	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 CCR2b expressed in human U2OS cells harboring beta-lactamase reporter gene assessed as inhibiti...				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))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(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	81	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
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Non-competitive insurmountable antagonist activity at human CCR2 expressed in human U2OS cell membranes assessed as pEC50 for CCL2-stimulated [35S]GT...				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))	BDBM50506122 (CHEMBL4531005) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(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	n/a	n/a	9	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTP...				J Med Chem 62: 11035-11053 (2019) Article DOI: 10.1021/acs.jmedchem.9b00742
					More data for this Ligand-Target Pair