Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'huynh' and Initial = 'hk'   

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
Estrogen receptor (Homo sapiens (Human))	BDBM50503111 (CHEMBL4528514 | US11672785, Goodacre Compound 102 ...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r| Show InChI InChI=1S/C28H33F4N3O/c1-17-10-21-20-6-4-5-7-24(20)33-26(21)27(35(17)16-28(2,3)32)25-22(30)11-19(12-23(25)31)36-9-8-34-14-18(13-29)15-34/h4-7,11-12,17-18,27,33H,8-10,13-16H2,1-3H3/t17-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.0794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as downregulation of ER alpha receptor expression measured after 18 to 22 hrs by immuno...				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50503109 (CHEMBL4591926) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r| Show InChI InChI=1S/C29H35F4N3O/c1-18-11-22-21-7-5-6-8-25(21)34-27(22)29(4,36(18)17-28(2,3)33)26-23(31)12-20(13-24(26)32)37-10-9-35-15-19(14-30)16-35/h5-8,12-13,18-19,34H,9-11,14-17H2,1-4H3/t18-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.251	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as downregulation of ER alpha receptor expression measured after 18 to 22 hrs by immuno...				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125052 (CHEMBL3623004 | US10130617, Example 1 | US20240043...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as downregulation of ER alpha receptor expression measured after 18 to 22 hrs by immuno...				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50503114 (CHEMBL4447306) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C26H27F3N2O2/c1-15-11-18-17-7-5-6-8-21(17)30-24(18)26(4,31(15)14-25(2,3)29)23-19(27)12-16(13-20(23)28)9-10-22(32)33/h5-10,12-13,15,30H,11,14H2,1-4H3,(H,32,33)/b10-9+/t15-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluorescent labelled fluormone ES2 from human recombinant GST tagged ER alpha LBD ( 282 to 595 residues) expressed in baculovirus inf...				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50503112 (CHEMBL4587197) Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@](CC=C1)(N2CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r,c:16,THB:17:16:2.3.4:13.15.14| Show InChI InChI=1S/C27H25F3N2O2/c1-26(2,30)15-32-17-6-5-11-27(32,25-19(14-17)18-7-3-4-8-22(18)31-25)24-20(28)12-16(13-21(24)29)9-10-23(33)34/h3-10,12-13,17,31H,11,14-15H2,1-2H3,(H,33,34)/b10-9+/t17-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluorescent labelled fluormone ES2 from human recombinant GST tagged ER alpha LBD ( 282 to 595 residues) expressed in baculovirus inf...				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50503110 (CHEMBL4452972) Show SMILES [H][C@]12CCC[C@](N1CC(C)(C)F)(c1[nH]c3ccccc3c1C2)c1c(F)cc(\C=C\C(O)=O)cc1F |r,TLB:7:6:21.20.12:4.2.3| Show InChI InChI=1S/C27H27F3N2O2/c1-26(2,30)15-32-17-6-5-11-27(32,25-19(14-17)18-7-3-4-8-22(18)31-25)24-20(28)12-16(13-21(24)29)9-10-23(33)34/h3-4,7-10,12-13,17,31H,5-6,11,14-15H2,1-2H3,(H,33,34)/b10-9+/t17-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluorescent labelled fluormone ES2 from human recombinant GST tagged ER alpha LBD ( 282 to 595 residues) expressed in baculovirus inf...				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50125052 (CHEMBL3623004 | US10130617, Example 1 | US20240043...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluorescent labelled fluormone ES2 from human recombinant GST tagged ER alpha LBD ( 282 to 595 residues) expressed in baculovirus inf...				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50503111 (CHEMBL4528514 | US11672785, Goodacre Compound 102 ...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r| Show InChI InChI=1S/C28H33F4N3O/c1-17-10-21-20-6-4-5-7-24(20)33-26(21)27(35(17)16-28(2,3)32)25-22(30)11-19(12-23(25)31)36-9-8-34-14-18(13-29)15-34/h4-7,11-12,17-18,27,33H,8-10,13-16H2,1-3H3/t17-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluorescent labelled fluormone ES2 from human recombinant GST tagged ER alpha LBD ( 282 to 595 residues) expressed in baculovirus inf...				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50503109 (CHEMBL4591926) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r| Show InChI InChI=1S/C29H35F4N3O/c1-18-11-22-21-7-5-6-8-25(21)34-27(22)29(4,36(18)17-28(2,3)33)26-23(31)12-20(13-24(26)32)37-10-9-35-15-19(14-30)16-35/h5-8,12-13,18-19,34H,9-11,14-17H2,1-4H3/t18-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluorescent labelled fluormone ES2 from human recombinant GST tagged ER alpha LBD ( 282 to 595 residues) expressed in baculovirus inf...				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50503114 (CHEMBL4447306) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C26H27F3N2O2/c1-15-11-18-17-7-5-6-8-21(17)30-24(18)26(4,31(15)14-25(2,3)29)23-19(27)12-16(13-20(23)28)9-10-22(32)33/h5-10,12-13,15,30H,11,14H2,1-4H3,(H,32,33)/b10-9+/t15-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as downregulation of ER alpha receptor expression measured after 18 to 22 hrs by immuno...				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50503112 (CHEMBL4587197) Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@](CC=C1)(N2CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r,c:16,THB:17:16:2.3.4:13.15.14| Show InChI InChI=1S/C27H25F3N2O2/c1-26(2,30)15-32-17-6-5-11-27(32,25-19(14-17)18-7-3-4-8-22(18)31-25)24-20(28)12-16(13-21(24)29)9-10-23(33)34/h3-10,12-13,17,31H,11,14-15H2,1-2H3,(H,33,34)/b10-9+/t17-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as downregulation of ER alpha receptor expression measured after 18 to 22 hrs by immuno...				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50503113 (CHEMBL4516412) Show SMILES [H][C@]12CCC[C@](N1CC(C)(C)F)(c1[nH]c3ccccc3c1C2)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r,TLB:7:6:21.20.12:4.2.3| Show InChI InChI=1S/C30H35F4N3O/c1-29(2,34)18-37-20-6-5-9-30(37,28-23(12-20)22-7-3-4-8-26(22)35-28)27-24(32)13-21(14-25(27)33)38-11-10-36-16-19(15-31)17-36/h3-4,7-8,13-14,19-20,35H,5-6,9-12,15-18H2,1-2H3/t20-,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluorescent labelled fluormone ES2 from human recombinant GST tagged ER alpha LBD ( 282 to 595 residues) expressed in baculovirus inf...				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50503113 (CHEMBL4516412) Show SMILES [H][C@]12CCC[C@](N1CC(C)(C)F)(c1[nH]c3ccccc3c1C2)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r,TLB:7:6:21.20.12:4.2.3| Show InChI InChI=1S/C30H35F4N3O/c1-29(2,34)18-37-20-6-5-9-30(37,28-23(12-20)22-7-3-4-8-26(22)35-28)27-24(32)13-21(14-25(27)33)38-11-10-36-16-19(15-31)17-36/h3-4,7-8,13-14,19-20,35H,5-6,9-12,15-18H2,1-2H3/t20-,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as downregulation of ER alpha receptor expression measured after 18 to 22 hrs by immuno...				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50503110 (CHEMBL4452972) Show SMILES [H][C@]12CCC[C@](N1CC(C)(C)F)(c1[nH]c3ccccc3c1C2)c1c(F)cc(\C=C\C(O)=O)cc1F |r,TLB:7:6:21.20.12:4.2.3| Show InChI InChI=1S/C27H27F3N2O2/c1-26(2,30)15-32-17-6-5-11-27(32,25-19(14-17)18-7-3-4-8-22(18)31-25)24-20(28)12-16(13-21(24)29)9-10-23(33)34/h3-4,7-10,12-13,17,31H,5-6,11,14-15H2,1-2H3,(H,33,34)/b10-9+/t17-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as downregulation of ER alpha receptor expression measured after 18 to 22 hrs by immuno...				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair				3D Structure (crystal)
E-selectin (Homo sapiens (Human))	BDBM50450369 (SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...) Show SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Compound was evaluated for the Selectin E binding activity.				Bioorg Med Chem Lett 8: 2803-8 (1999) BindingDB Entry DOI: 10.7270/Q2RN38CC
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50503110 (CHEMBL4452972) Show SMILES [H][C@]12CCC[C@](N1CC(C)(C)F)(c1[nH]c3ccccc3c1C2)c1c(F)cc(\C=C\C(O)=O)cc1F |r,TLB:7:6:21.20.12:4.2.3| Show InChI InChI=1S/C27H27F3N2O2/c1-26(2,30)15-32-17-6-5-11-27(32,25-19(14-17)18-7-3-4-8-22(18)31-25)24-20(28)12-16(13-21(24)29)9-10-23(33)34/h3-4,7-10,12-13,17,31H,5-6,11,14-15H2,1-2H3,(H,33,34)/b10-9+/t17-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50503110 (CHEMBL4452972) Show SMILES [H][C@]12CCC[C@](N1CC(C)(C)F)(c1[nH]c3ccccc3c1C2)c1c(F)cc(\C=C\C(O)=O)cc1F |r,TLB:7:6:21.20.12:4.2.3| Show InChI InChI=1S/C27H27F3N2O2/c1-26(2,30)15-32-17-6-5-11-27(32,25-19(14-17)18-7-3-4-8-22(18)31-25)24-20(28)12-16(13-21(24)29)9-10-23(33)34/h3-4,7-10,12-13,17,31H,5-6,11,14-15H2,1-2H3,(H,33,34)/b10-9+/t17-,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50503110 (CHEMBL4452972) Show SMILES [H][C@]12CCC[C@](N1CC(C)(C)F)(c1[nH]c3ccccc3c1C2)c1c(F)cc(\C=C\C(O)=O)cc1F |r,TLB:7:6:21.20.12:4.2.3| Show InChI InChI=1S/C27H27F3N2O2/c1-26(2,30)15-32-17-6-5-11-27(32,25-19(14-17)18-7-3-4-8-22(18)31-25)24-20(28)12-16(13-21(24)29)9-10-23(33)34/h3-4,7-10,12-13,17,31H,5-6,11,14-15H2,1-2H3,(H,33,34)/b10-9+/t17-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50503110 (CHEMBL4452972) Show SMILES [H][C@]12CCC[C@](N1CC(C)(C)F)(c1[nH]c3ccccc3c1C2)c1c(F)cc(\C=C\C(O)=O)cc1F |r,TLB:7:6:21.20.12:4.2.3| Show InChI InChI=1S/C27H27F3N2O2/c1-26(2,30)15-32-17-6-5-11-27(32,25-19(14-17)18-7-3-4-8-22(18)31-25)24-20(28)12-16(13-21(24)29)9-10-23(33)34/h3-4,7-10,12-13,17,31H,5-6,11,14-15H2,1-2H3,(H,33,34)/b10-9+/t17-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50503110 (CHEMBL4452972) Show SMILES [H][C@]12CCC[C@](N1CC(C)(C)F)(c1[nH]c3ccccc3c1C2)c1c(F)cc(\C=C\C(O)=O)cc1F |r,TLB:7:6:21.20.12:4.2.3| Show InChI InChI=1S/C27H27F3N2O2/c1-26(2,30)15-32-17-6-5-11-27(32,25-19(14-17)18-7-3-4-8-22(18)31-25)24-20(28)12-16(13-21(24)29)9-10-23(33)34/h3-4,7-10,12-13,17,31H,5-6,11,14-15H2,1-2H3,(H,33,34)/b10-9+/t17-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 10: 1492-1497 (2019) Article DOI: 10.1021/acsmedchemlett.9b00370 BindingDB Entry DOI: 10.7270/Q21839SV
					More data for this Ligand-Target Pair