BDBM50437791 CHEMBL2409710

SMILES: C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)NC(=O)NC1=O

InChI Key: InChIKey=NZWCKNGEMCPIOP-MRXNPFEDSA-N

Data: 5 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 5 hits for monomerid = 50437791   

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
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human))	BDBM50437791 (CHEMBL2409710) Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)NC(=O)NC1=O |r| Show InChI InChI=1S/C17H20F3N3O5S/c1-16(14(24)21-15(25)22-16)10-29(26,27)23-8-6-13(7-9-23)28-12-4-2-11(3-5-12)17(18,19)20/h2-5,13H,6-10H2,1H3,(H2,21,22,24,25)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MMP-12 (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 23: 4705-12 (2013) Article DOI: 10.1016/j.bmcl.2013.05.089 BindingDB Entry DOI: 10.7270/Q2WS8VNH
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50437791 (CHEMBL2409710) Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)NC(=O)NC1=O |r| Show InChI InChI=1S/C17H20F3N3O5S/c1-16(14(24)21-15(25)22-16)10-29(26,27)23-8-6-13(7-9-23)28-12-4-2-11(3-5-12)17(18,19)20/h2-5,13H,6-10H2,1H3,(H2,21,22,24,25)/t16-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 23: 4705-12 (2013) Article DOI: 10.1016/j.bmcl.2013.05.089 BindingDB Entry DOI: 10.7270/Q2WS8VNH
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50437791 (CHEMBL2409710) Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)NC(=O)NC1=O |r| Show InChI InChI=1S/C17H20F3N3O5S/c1-16(14(24)21-15(25)22-16)10-29(26,27)23-8-6-13(7-9-23)28-12-4-2-11(3-5-12)17(18,19)20/h2-5,13H,6-10H2,1H3,(H2,21,22,24,25)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				Bioorg Med Chem Lett 23: 4705-12 (2013) Article DOI: 10.1016/j.bmcl.2013.05.089 BindingDB Entry DOI: 10.7270/Q2WS8VNH
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50437791 (CHEMBL2409710) Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)NC(=O)NC1=O |r| Show InChI InChI=1S/C17H20F3N3O5S/c1-16(14(24)21-15(25)22-16)10-29(26,27)23-8-6-13(7-9-23)28-12-4-2-11(3-5-12)17(18,19)20/h2-5,13H,6-10H2,1H3,(H2,21,22,24,25)/t16-/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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 23: 4705-12 (2013) Article DOI: 10.1016/j.bmcl.2013.05.089 BindingDB Entry DOI: 10.7270/Q2WS8VNH
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50437791 (CHEMBL2409710) Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)NC(=O)NC1=O |r| Show InChI InChI=1S/C17H20F3N3O5S/c1-16(14(24)21-15(25)22-16)10-29(26,27)23-8-6-13(7-9-23)28-12-4-2-11(3-5-12)17(18,19)20/h2-5,13H,6-10H2,1H3,(H2,21,22,24,25)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 23: 4705-12 (2013) Article DOI: 10.1016/j.bmcl.2013.05.089 BindingDB Entry DOI: 10.7270/Q2WS8VNH
					More data for this Ligand-Target Pair