BDBM50248440 (+/-)-3,3-difluoro-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide::CHEMBL489513::CHEMBL491679

SMILES: CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1

InChI Key: InChIKey=FMROLDYZPAJDIZ-IMMUGOHXSA-N

Data: 3 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 3 hits for monomerid = 50248440   

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 5 (Homo sapiens (Human))	BDBM50248440 ((+/-)-3,3-difluoro-N-((1S)-3-(4-(3-isopropyl-5-met...) Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 |r| Show InChI InChI=1S/C26H37F2N5O/c1-17(2)24-31-30-19(4)33(24)22-10-12-32(13-11-22)18(3)14-23(20-8-6-5-7-9-20)29-25(34)21-15-26(27,28)16-21/h5-9,17-18,21-23H,10-16H2,1-4H3,(H,29,34)/t18?,23-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...				Bioorg Med Chem Lett 19: 1499-503 (2009) Article DOI: 10.1016/j.bmcl.2009.01.008 BindingDB Entry DOI: 10.7270/Q2PN96JF
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50248440 ((+/-)-3,3-difluoro-N-((1S)-3-(4-(3-isopropyl-5-met...) Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 |r| Show InChI InChI=1S/C26H37F2N5O/c1-17(2)24-31-30-19(4)33(24)22-10-12-32(13-11-22)18(3)14-23(20-8-6-5-7-9-20)29-25(34)21-15-26(27,28)16-21/h5-9,17-18,21-23H,10-16H2,1-4H3,(H,29,34)/t18?,23-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...				Bioorg Med Chem Lett 19: 1499-503 (2009) Article DOI: 10.1016/j.bmcl.2009.01.008 BindingDB Entry DOI: 10.7270/Q2PN96JF
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50248440 ((+/-)-3,3-difluoro-N-((1S)-3-(4-(3-isopropyl-5-met...) Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 |r| Show InChI InChI=1S/C26H37F2N5O/c1-17(2)24-31-30-19(4)33(24)22-10-12-32(13-11-22)18(3)14-23(20-8-6-5-7-9-20)29-25(34)21-15-26(27,28)16-21/h5-9,17-18,21-23H,10-16H2,1-4H3,(H,29,34)/t18?,23-/m0/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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 19: 1499-503 (2009) Article DOI: 10.1016/j.bmcl.2009.01.008 BindingDB Entry DOI: 10.7270/Q2PN96JF
					More data for this Ligand-Target Pair