Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50355391   

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 3A4 (Homo sapiens (Human))	BDBM50355391 (CHEMBL1834659) Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(OCCN4CCCC4)cc3)ncn2)c1Cl Show InChI InChI=1S/C26H30Cl2N6O4/c1-33(26(35)32-25-23(27)19(36-2)14-20(37-3)24(25)28)22-15-21(29-16-30-22)31-17-6-8-18(9-7-17)38-13-12-34-10-4-5-11-34/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,32,35)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using DBF as substrate				J Med Chem 54: 7066-83 (2011) Article DOI: 10.1021/jm2006222 BindingDB Entry DOI: 10.7270/Q22N52N1
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50355391 (CHEMBL1834659) Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(OCCN4CCCC4)cc3)ncn2)c1Cl Show InChI InChI=1S/C26H30Cl2N6O4/c1-33(26(35)32-25-23(27)19(36-2)14-20(37-3)24(25)28)22-15-21(29-16-30-22)31-17-6-8-18(9-7-17)38-13-12-34-10-4-5-11-34/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,32,35)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2C9 using MFC as substrate				J Med Chem 54: 7066-83 (2011) Article DOI: 10.1021/jm2006222 BindingDB Entry DOI: 10.7270/Q22N52N1
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50355391 (CHEMBL1834659) Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(OCCN4CCCC4)cc3)ncn2)c1Cl Show InChI InChI=1S/C26H30Cl2N6O4/c1-33(26(35)32-25-23(27)19(36-2)14-20(37-3)24(25)28)22-15-21(29-16-30-22)31-17-6-8-18(9-7-17)38-13-12-34-10-4-5-11-34/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,32,35)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP1A2 using CEC as substrate				J Med Chem 54: 7066-83 (2011) Article DOI: 10.1021/jm2006222 BindingDB Entry DOI: 10.7270/Q22N52N1
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50355391 (CHEMBL1834659) Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(OCCN4CCCC4)cc3)ncn2)c1Cl Show InChI InChI=1S/C26H30Cl2N6O4/c1-33(26(35)32-25-23(27)19(36-2)14-20(37-3)24(25)28)22-15-21(29-16-30-22)31-17-6-8-18(9-7-17)38-13-12-34-10-4-5-11-34/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,32,35)(H,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2D6 using AMMC as substrate				J Med Chem 54: 7066-83 (2011) Article DOI: 10.1021/jm2006222 BindingDB Entry DOI: 10.7270/Q22N52N1
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50355391 (CHEMBL1834659) Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(OCCN4CCCC4)cc3)ncn2)c1Cl Show InChI InChI=1S/C26H30Cl2N6O4/c1-33(26(35)32-25-23(27)19(36-2)14-20(37-3)24(25)28)22-15-21(29-16-30-22)31-17-6-8-18(9-7-17)38-13-12-34-10-4-5-11-34/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,32,35)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using BFC as substrate				J Med Chem 54: 7066-83 (2011) Article DOI: 10.1021/jm2006222 BindingDB Entry DOI: 10.7270/Q22N52N1
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50355391 (CHEMBL1834659) Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(OCCN4CCCC4)cc3)ncn2)c1Cl Show InChI InChI=1S/C26H30Cl2N6O4/c1-33(26(35)32-25-23(27)19(36-2)14-20(37-3)24(25)28)22-15-21(29-16-30-22)31-17-6-8-18(9-7-17)38-13-12-34-10-4-5-11-34/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,32,35)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2C19 using CEC as substrate				J Med Chem 54: 7066-83 (2011) Article DOI: 10.1021/jm2006222 BindingDB Entry DOI: 10.7270/Q22N52N1
					More data for this Ligand-Target Pair