BDBM50254761 5-amino-N-(2-((2,6-dichloro-N-(2-hydroxyethyl)benzamido)methyl)-3,3,3-trifluoro-2-hydroxypropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide::CHEMBL465451

SMILES: Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(Cl)cccc1Cl)C(F)(F)F

InChI Key: InChIKey=UXDNAIXKDXHQMU-UHFFFAOYSA-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 = 50254761   

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
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50254761 (5-amino-N-(2-((2,6-dichloro-N-(2-hydroxyethyl)benz...) Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(Cl)cccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H21Cl2F4N5O4/c24-16-2-1-3-17(25)18(16)21(37)33(8-9-35)12-22(38,23(27,28)29)11-31-20(36)15-10-32-34(19(15)30)14-6-4-13(26)5-7-14/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 19: 158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50254761 (5-amino-N-(2-((2,6-dichloro-N-(2-hydroxyethyl)benz...) Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(Cl)cccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H21Cl2F4N5O4/c24-16-2-1-3-17(25)18(16)21(37)33(8-9-35)12-22(38,23(27,28)29)11-31-20(36)15-10-32-34(19(15)30)14-6-4-13(26)5-7-14/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36)	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	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 19: 158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50254761 (5-amino-N-(2-((2,6-dichloro-N-(2-hydroxyethyl)benz...) Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(Cl)cccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H21Cl2F4N5O4/c24-16-2-1-3-17(25)18(16)21(37)33(8-9-35)12-22(38,23(27,28)29)11-31-20(36)15-10-32-34(19(15)30)14-6-4-13(26)5-7-14/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36)	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	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 19: 158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50254761 (5-amino-N-(2-((2,6-dichloro-N-(2-hydroxyethyl)benz...) Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(Cl)cccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H21Cl2F4N5O4/c24-16-2-1-3-17(25)18(16)21(37)33(8-9-35)12-22(38,23(27,28)29)11-31-20(36)15-10-32-34(19(15)30)14-6-4-13(26)5-7-14/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 19: 158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50254761 (5-amino-N-(2-((2,6-dichloro-N-(2-hydroxyethyl)benz...) Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(Cl)cccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H21Cl2F4N5O4/c24-16-2-1-3-17(25)18(16)21(37)33(8-9-35)12-22(38,23(27,28)29)11-31-20(36)15-10-32-34(19(15)30)14-6-4-13(26)5-7-14/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36)	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 19: 158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79
					More data for this Ligand-Target Pair