BDBM50089332 CHEMBL3577937

SMILES: CCCC[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C

InChI Key: InChIKey=BCRSYZQXPRWUJQ-UIFIKXQLSA-N

Data: 4 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 = 50089332   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50089332 (CHEMBL3577937) Show SMILES CCCC[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C |r| Show InChI InChI=1S/C24H36F3N3O2/c1-5-6-8-17-14-20(30(4)16(2)3)11-12-21(17)29-22(31)15-28-23(32)18-9-7-10-19(13-18)24(25,26)27/h7,9-10,13,16-17,20-21H,5-6,8,11-12,14-15H2,1-4H3,(H,28,32)(H,29,31)/t17-,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by FLIPR based flux assay				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50089332 (CHEMBL3577937) Show SMILES CCCC[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C |r| Show InChI InChI=1S/C24H36F3N3O2/c1-5-6-8-17-14-20(30(4)16(2)3)11-12-21(17)29-22(31)15-28-23(32)18-9-7-10-19(13-18)24(25,26)27/h7,9-10,13,16-17,20-21H,5-6,8,11-12,14-15H2,1-4H3,(H,28,32)(H,29,31)/t17-,20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50089332 (CHEMBL3577937) Show SMILES CCCC[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C |r| Show InChI InChI=1S/C24H36F3N3O2/c1-5-6-8-17-14-20(30(4)16(2)3)11-12-21(17)29-22(31)15-28-23(32)18-9-7-10-19(13-18)24(25,26)27/h7,9-10,13,16-17,20-21H,5-6,8,11-12,14-15H2,1-4H3,(H,28,32)(H,29,31)/t17-,20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50089332 (CHEMBL3577937) Show SMILES CCCC[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C |r| Show InChI InChI=1S/C24H36F3N3O2/c1-5-6-8-17-14-20(30(4)16(2)3)11-12-21(17)29-22(31)15-28-23(32)18-9-7-10-19(13-18)24(25,26)27/h7,9-10,13,16-17,20-21H,5-6,8,11-12,14-15H2,1-4H3,(H,28,32)(H,29,31)/t17-,20-,21+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
					More data for this Ligand-Target Pair