BDBM50252435 CHEMBL4091736

SMILES: CC(C)CN1CC(=Cc2ccc(cc2C1=O)-c1ccc(C)cc1)C(=O)Nc1ccc(CN(C)C2CCOCC2)cc1

InChI Key: InChIKey=CWKXWSGIJMLGQM-UHFFFAOYSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 50252435   

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))	BDBM50252435 (CHEMBL4091736) Show SMILES CC(C)CN1CC(=Cc2ccc(cc2C1=O)-c1ccc(C)cc1)C(=O)Nc1ccc(CN(C)C2CCOCC2)cc1 |c:6| Show InChI InChI=1S/C35H41N3O3/c1-24(2)21-38-23-30(19-29-12-11-28(20-33(29)35(38)40)27-9-5-25(3)6-10-27)34(39)36-31-13-7-26(8-14-31)22-37(4)32-15-17-41-18-16-32/h5-14,19-20,24,32H,15-18,21-23H2,1-4H3,(H,36,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster, Corrensstraße 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]INCB3344 from human CCR2 expressed in human U2OS cells after 120 mins by scintillation spectrometric analysis				Eur J Med Chem 135: 401-413 (2017) Article DOI: 10.1016/j.ejmech.2017.04.046 BindingDB Entry DOI: 10.7270/Q2Z60RH6
					More data for this Ligand-Target Pair
CCR5/mu opioid receptor complex (Homo sapiens (Human))	BDBM50252435 (CHEMBL4091736) Show SMILES CC(C)CN1CC(=Cc2ccc(cc2C1=O)-c1ccc(C)cc1)C(=O)Nc1ccc(CN(C)C2CCOCC2)cc1 |c:6| Show InChI InChI=1S/C35H41N3O3/c1-24(2)21-38-23-30(19-29-12-11-28(20-33(29)35(38)40)27-9-5-25(3)6-10-27)34(39)36-31-13-7-26(8-14-31)22-37(4)32-15-17-41-18-16-32/h5-14,19-20,24,32H,15-18,21-23H2,1-4H3,(H,36,39)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>10	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster, Corrensstraße 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 expressed in CHO cells after 40 mins by scintillation counting analysis				Eur J Med Chem 135: 401-413 (2017) Article DOI: 10.1016/j.ejmech.2017.04.046 BindingDB Entry DOI: 10.7270/Q2Z60RH6
					More data for this Ligand-Target Pair