Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50506124'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50506124 (CHEMBL4544504) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 Show InChI InChI=1S/C15H15BrClN5O/c1-7(2)12-9(5-8-3-4-11(17)10(16)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	0.380	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 BindingDB Entry DOI: 10.7270/Q2QR51DD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50506124 (CHEMBL4544504) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 Show InChI InChI=1S/C15H15BrClN5O/c1-7(2)12-9(5-8-3-4-11(17)10(16)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	0.400	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 BindingDB Entry DOI: 10.7270/Q2QR51DD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50506124 (CHEMBL4544504) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 Show InChI InChI=1S/C15H15BrClN5O/c1-7(2)12-9(5-8-3-4-11(17)10(16)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	n/a	n/a	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 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 BindingDB Entry DOI: 10.7270/Q2QR51DD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50506124 (CHEMBL4544504) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 Show InChI InChI=1S/C15H15BrClN5O/c1-7(2)12-9(5-8-3-4-11(17)10(16)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	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 BindingDB Entry DOI: 10.7270/Q2QR51DD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50506124 (CHEMBL4544504) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 Show InChI InChI=1S/C15H15BrClN5O/c1-7(2)12-9(5-8-3-4-11(17)10(16)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	n/a	n/a	n/a	n/a	12	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 BindingDB Entry DOI: 10.7270/Q2QR51DD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50506124 (CHEMBL4544504) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 Show InChI InChI=1S/C15H15BrClN5O/c1-7(2)12-9(5-8-3-4-11(17)10(16)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	n/a	n/a	n/a	n/a	148	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 BindingDB Entry DOI: 10.7270/Q2QR51DD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50506124 (CHEMBL4544504) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 Show InChI InChI=1S/C15H15BrClN5O/c1-7(2)12-9(5-8-3-4-11(17)10(16)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	n/a	n/a	n/a	n/a	30	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 BindingDB Entry DOI: 10.7270/Q2QR51DD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50506124 (CHEMBL4544504) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 Show InChI InChI=1S/C15H15BrClN5O/c1-7(2)12-9(5-8-3-4-11(17)10(16)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	n/a	n/a	n/a	n/a	135	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 BindingDB Entry DOI: 10.7270/Q2QR51DD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50506124 (CHEMBL4544504) Show SMILES CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 Show InChI InChI=1S/C15H15BrClN5O/c1-7(2)12-9(5-8-3-4-11(17)10(16)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	n/a	n/a	n/a	n/a	32	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 BindingDB Entry DOI: 10.7270/Q2QR51DD
					More data for this Ligand-Target Pair