BDBM50089337 CHEMBL3577940

SMILES: CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CCc2ccccc2)C1

InChI Key: InChIKey=AQTIPNCIMOFYSH-SDUSCBPUSA-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 = 50089337   

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))	BDBM50089337 (CHEMBL3577940) Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CCc2ccccc2)C1 |r| Show InChI InChI=1S/C28H36F3N3O2/c1-19(2)34(3)24-14-15-25(21(17-24)13-12-20-8-5-4-6-9-20)33-26(35)18-32-27(36)22-10-7-11-23(16-22)28(29,30)31/h4-11,16,19,21,24-25H,12-15,17-18H2,1-3H3,(H,32,36)(H,33,35)/t21-,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	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))	BDBM50089337 (CHEMBL3577940) Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CCc2ccccc2)C1 |r| Show InChI InChI=1S/C28H36F3N3O2/c1-19(2)34(3)24-14-15-25(21(17-24)13-12-20-8-5-4-6-9-20)33-26(35)18-32-27(36)22-10-7-11-23(16-22)28(29,30)31/h4-11,16,19,21,24-25H,12-15,17-18H2,1-3H3,(H,32,36)(H,33,35)/t21-,24-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	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))	BDBM50089337 (CHEMBL3577940) Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CCc2ccccc2)C1 |r| Show InChI InChI=1S/C28H36F3N3O2/c1-19(2)34(3)24-14-15-25(21(17-24)13-12-20-8-5-4-6-9-20)33-26(35)18-32-27(36)22-10-7-11-23(16-22)28(29,30)31/h4-11,16,19,21,24-25H,12-15,17-18H2,1-3H3,(H,32,36)(H,33,35)/t21-,24-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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))	BDBM50089337 (CHEMBL3577940) Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CCc2ccccc2)C1 |r| Show InChI InChI=1S/C28H36F3N3O2/c1-19(2)34(3)24-14-15-25(21(17-24)13-12-20-8-5-4-6-9-20)33-26(35)18-32-27(36)22-10-7-11-23(16-22)28(29,30)31/h4-11,16,19,21,24-25H,12-15,17-18H2,1-3H3,(H,32,36)(H,33,35)/t21-,24-,25+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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