Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 50539550   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50539550 (CHEMBL4643134) Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126852 BindingDB Entry DOI: 10.7270/Q21Z47ZJ
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50539550 (CHEMBL4643134) Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126852 BindingDB Entry DOI: 10.7270/Q21Z47ZJ
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50539550 (CHEMBL4643134) Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inhibition of CYP2B6 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126852 BindingDB Entry DOI: 10.7270/Q21Z47ZJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50539550 (CHEMBL4643134) Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126852 BindingDB Entry DOI: 10.7270/Q21Z47ZJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50539550 (CHEMBL4643134) Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126852 BindingDB Entry DOI: 10.7270/Q21Z47ZJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50539550 (CHEMBL4643134) Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126852 BindingDB Entry DOI: 10.7270/Q21Z47ZJ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50539550 (CHEMBL4643134) Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126852 BindingDB Entry DOI: 10.7270/Q21Z47ZJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50539550 (CHEMBL4643134) Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126852 BindingDB Entry DOI: 10.7270/Q21Z47ZJ
					More data for this Ligand-Target Pair