Compile Data Set for Download or QSAR

Found 119 hits with Last Name = 'hargrove' and Initial = 'ty'   

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
Lanosterol 14-alpha demethylase (Candida albicans (strain SC5314 / ATCC MYA-2876) (...)	BDBM213825 (VNI) Show SMILES Clc1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(Cl)c1 |r| Show InChI InChI=1S/C26H19Cl2N5O2/c27-20-10-11-21(22(28)14-20)23(15-33-13-12-29-16-33)30-24(34)17-6-8-19(9-7-17)26-32-31-25(35-26)18-4-2-1-3-5-18/h1-14,16,23H,15H2,(H,30,34)/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Candida albicans CYP51 assessed as reduction in [3-3H]lanosterol 14alpha-demethylation preincubated for 60 secs followed by NADPH addit...				J Med Chem 61: 5679-5691 (2018) Article DOI: 10.1021/acs.jmedchem.8b00641 BindingDB Entry DOI: 10.7270/Q26H4KX9
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505758 (CHEMBL4444489) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2cc(Br)cc3ccccc23)c(Cl)c1 |r| Show InChI InChI=1S/C36H24BrClFN5O2/c37-27-17-26-3-1-2-4-29(26)31(19-27)36-43-42-35(46-36)24-7-5-23(6-8-24)34(45)41-33(20-44-16-15-40-21-44)30-14-11-25(18-32(30)38)22-9-12-28(39)13-10-22/h1-19,21,33H,20H2,(H,41,45)/t33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 min using [3H] lanosterol as substrate by HPLC analys...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50465948 (CHEMBL3629567) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(F)c1 |r| Show InChI InChI=1S/C32H23F2N5O2/c33-26-13-10-21(11-14-26)25-12-15-27(28(34)18-25)29(19-39-17-16-35-20-39)36-30(40)22-6-8-24(9-7-22)32-38-37-31(41-32)23-4-2-1-3-5-23/h1-18,20,29H,19H2,(H,36,40)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 min using [3H] lanosterol as substrate by HPLC analys...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505766 (CHEMBL4522116) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2cc(F)cc(c2)-c2ncncc2F)c(Cl)c1 |r| Show InChI InChI=1S/C36H23ClF3N7O2/c37-30-16-24(21-5-8-27(38)9-6-21)7-10-29(30)32(18-47-12-11-41-20-47)44-34(48)22-1-3-23(4-2-22)35-45-46-36(49-35)26-13-25(14-28(39)15-26)33-31(40)17-42-19-43-33/h1-17,19-20,32H,18H2,(H,44,48)/t32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 min using [3H] lanosterol as substrate by HPLC analys...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505763 (CHEMBL4466288) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2cc(ccc2F)-c2ccccn2)c(Cl)c1 |r| Show InChI InChI=1S/C37H25ClF2N6O2/c38-31-20-26(23-8-12-28(39)13-9-23)10-14-29(31)34(21-46-18-17-41-22-46)43-35(47)24-4-6-25(7-5-24)36-44-45-37(48-36)30-19-27(11-15-32(30)40)33-3-1-2-16-42-33/h1-20,22,34H,21H2,(H,43,47)/t34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 min using [3H] lanosterol as substrate by HPLC analys...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505764 (CHEMBL4461447) Show SMILES CS(=O)(=O)c1cc(cc(c1)-c1ccccn1)-c1nnc(o1)-c1ccc(cc1)C(=O)N[C@@H](Cn1ccnc1)c1ccc(cc1Cl)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C38H28ClFN6O4S/c1-51(48,49)31-19-28(34-4-2-3-15-42-34)18-29(20-31)38-45-44-37(50-38)26-7-5-25(6-8-26)36(47)43-35(22-46-17-16-41-23-46)32-14-11-27(21-33(32)39)24-9-12-30(40)13-10-24/h2-21,23,35H,22H2,1H3,(H,43,47)/t35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 min using [3H] lanosterol as substrate by HPLC analys...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505761 (CHEMBL4277680) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(Cl)c1 |r| Show InChI InChI=1S/C32H23ClFN5O2/c33-28-18-25(21-10-13-26(34)14-11-21)12-15-27(28)29(19-39-17-16-35-20-39)36-30(40)22-6-8-24(9-7-22)32-38-37-31(41-32)23-4-2-1-3-5-23/h1-18,20,29H,19H2,(H,36,40)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 min using [3H] lanosterol as substrate by HPLC analys...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505768 (CHEMBL4439225) Show SMILES CS(=O)(=O)c1cc(Br)cc(c1)-c1nnc(o1)-c1ccc(cc1)C(=O)N[C@@H](Cn1ccnc1)c1ccc(cc1Cl)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C33H24BrClFN5O4S/c1-46(43,44)27-15-24(14-25(34)17-27)33-40-39-32(45-33)22-4-2-21(3-5-22)31(42)38-30(18-41-13-12-37-19-41)28-11-8-23(16-29(28)35)20-6-9-26(36)10-7-20/h2-17,19,30H,18H2,1H3,(H,38,42)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 min using [3H] lanosterol as substrate by HPLC analys...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505765 (CHEMBL4435160) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2cc(F)cc(c2)-c2ccccn2)c(Cl)c1 |r| Show InChI InChI=1S/C37H25ClF2N6O2/c38-32-20-26(23-8-11-29(39)12-9-23)10-13-31(32)34(21-46-16-15-41-22-46)43-35(47)24-4-6-25(7-5-24)36-44-45-37(48-36)28-17-27(18-30(40)19-28)33-3-1-2-14-42-33/h1-20,22,34H,21H2,(H,43,47)/t34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 min using [3H] lanosterol as substrate by HPLC analys...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505766 (CHEMBL4522116) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2cc(F)cc(c2)-c2ncncc2F)c(Cl)c1 |r| Show InChI InChI=1S/C36H23ClF3N7O2/c37-30-16-24(21-5-8-27(38)9-6-21)7-10-29(30)32(18-47-12-11-41-20-47)44-34(48)22-1-3-23(4-2-22)35-45-46-36(49-35)26-13-25(14-28(39)15-26)33-31(40)17-42-19-43-33/h1-17,19-20,32H,18H2,(H,44,48)/t32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 hr using [3H] lanosterol as substrate by HPLC analysi...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505765 (CHEMBL4435160) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2cc(F)cc(c2)-c2ccccn2)c(Cl)c1 |r| Show InChI InChI=1S/C37H25ClF2N6O2/c38-32-20-26(23-8-11-29(39)12-9-23)10-13-31(32)34(21-46-16-15-41-22-46)43-35(47)24-4-6-25(7-5-24)36-44-45-37(48-36)28-17-27(18-30(40)19-28)33-3-1-2-14-42-33/h1-20,22,34H,21H2,(H,43,47)/t34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 hr using [3H] lanosterol as substrate by HPLC analysi...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505760 (CHEMBL4458275) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(c1)-c1ccccc1 |r| Show InChI InChI=1S/C38H28FN5O2/c39-32-18-15-26(16-19-32)31-17-20-33(34(23-31)27-7-3-1-4-8-27)35(24-44-22-21-40-25-44)41-36(45)28-11-13-30(14-12-28)38-43-42-37(46-38)29-9-5-2-6-10-29/h1-23,25,35H,24H2,(H,41,45)/t35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 min using [3H] lanosterol as substrate by HPLC analys...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505759 (CHEMBL4593688) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C36H26FN5O2/c37-28-16-14-24(15-17-28)29-18-19-32(31-9-5-4-8-30(29)31)33(22-42-21-20-38-23-42)39-34(43)25-10-12-27(13-11-25)36-41-40-35(44-36)26-6-2-1-3-7-26/h1-21,23,33H,22H2,(H,39,43)/t33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 min using [3H] lanosterol as substrate by HPLC analys...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505768 (CHEMBL4439225) Show SMILES CS(=O)(=O)c1cc(Br)cc(c1)-c1nnc(o1)-c1ccc(cc1)C(=O)N[C@@H](Cn1ccnc1)c1ccc(cc1Cl)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C33H24BrClFN5O4S/c1-46(43,44)27-15-24(14-25(34)17-27)33-40-39-32(45-33)22-4-2-21(3-5-22)31(42)38-30(18-41-13-12-37-19-41)28-11-8-23(16-29(28)35)20-6-9-26(36)10-7-20/h2-17,19,30H,18H2,1H3,(H,38,42)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 hr using [3H] lanosterol as substrate by HPLC analysi...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM213823 (EPL-BS1246 (UDO)) Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H](c1ccc(Cl)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505764 (CHEMBL4461447) Show SMILES CS(=O)(=O)c1cc(cc(c1)-c1ccccn1)-c1nnc(o1)-c1ccc(cc1)C(=O)N[C@@H](Cn1ccnc1)c1ccc(cc1Cl)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C38H28ClFN6O4S/c1-51(48,49)31-19-28(34-4-2-3-15-42-34)18-29(20-31)38-45-44-37(50-38)26-7-5-25(6-8-26)36(47)43-35(22-46-17-16-41-23-46)32-14-11-27(21-33(32)39)24-9-12-30(40)13-10-24/h2-21,23,35H,22H2,1H3,(H,43,47)/t35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 hr using [3H] lanosterol as substrate by HPLC analysi...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505762 (CHEMBL4452294) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(c1)-c1ccco1 |r| Show InChI InChI=1S/C36H26FN5O3/c37-29-15-12-24(13-16-29)28-14-17-30(31(21-28)33-7-4-20-44-33)32(22-42-19-18-38-23-42)39-34(43)25-8-10-27(11-9-25)36-41-40-35(45-36)26-5-2-1-3-6-26/h1-21,23,32H,22H2,(H,39,43)/t32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 min using [3H] lanosterol as substrate by HPLC analys...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505761 (CHEMBL4277680) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(Cl)c1 |r| Show InChI InChI=1S/C32H23ClFN5O2/c33-28-18-25(21-10-13-26(34)14-11-21)12-15-27(28)29(19-39-17-16-35-20-39)36-30(40)22-6-8-24(9-7-22)32-38-37-31(41-32)23-4-2-1-3-5-23/h1-18,20,29H,19H2,(H,36,40)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 hr using [3H] lanosterol as substrate by HPLC analysi...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM213822 (EPL-BS0967 (UDD)) Show SMILES FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C23H20F6N4/c24-22(25,26)16-3-6-18(7-4-16)33(20-2-1-11-30-15-20)19-9-12-32(13-10-19)21-8-5-17(14-31-21)23(27,28)29/h1-8,11,14-15,19H,9-10,12-13H2	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	8.10E+3	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM213823 (EPL-BS1246 (UDO)) Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H](c1ccc(Cl)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2/t22-/m0/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	9.00E+3	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM213822 (EPL-BS0967 (UDD)) Show SMILES FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C23H20F6N4/c24-22(25,26)16-3-6-18(7-4-16)33(20-2-1-11-30-15-20)19-9-12-32(13-10-19)21-8-5-17(14-31-21)23(27,28)29/h1-8,11,14-15,19H,9-10,12-13H2	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	9.80E+3	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM213823 (EPL-BS1246 (UDO)) Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H](c1ccc(Cl)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2/t22-/m0/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	1.20E+4	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505767 (CHEMBL4472919) Show SMILES COc1ccc(cc1)-c1cc(ccc1[C@H](Cn1ccnc1)NC(=O)c1ccc(cc1)-c1nnc(o1)-c1ccccc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C39H30FN5O3/c1-47-33-18-13-27(14-19-33)35-23-31(26-11-16-32(40)17-12-26)15-20-34(35)36(24-45-22-21-41-25-45)42-37(46)28-7-9-30(10-8-28)39-44-43-38(48-39)29-5-3-2-4-6-29/h2-23,25,36H,24H2,1H3,(H,42,46)/t36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 min using [3H] lanosterol as substrate by HPLC analys...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505758 (CHEMBL4444489) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2cc(Br)cc3ccccc23)c(Cl)c1 |r| Show InChI InChI=1S/C36H24BrClFN5O2/c37-27-17-26-3-1-2-4-29(26)31(19-27)36-43-42-35(46-36)24-7-5-23(6-8-24)34(45)41-33(20-44-16-15-40-21-44)30-14-11-25(18-32(30)38)22-9-12-28(39)13-10-22/h1-19,21,33H,20H2,(H,41,45)/t33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 hr using [3H] lanosterol as substrate by HPLC analysi...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505763 (CHEMBL4466288) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2cc(ccc2F)-c2ccccn2)c(Cl)c1 |r| Show InChI InChI=1S/C37H25ClF2N6O2/c38-31-20-26(23-8-12-28(39)13-9-23)10-14-29(31)34(21-46-18-17-41-22-46)43-35(47)24-4-6-25(7-5-24)36-44-45-37(48-36)30-19-27(11-15-32(30)40)33-3-1-2-16-42-33/h1-20,22,34H,21H2,(H,43,47)/t34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 hr using [3H] lanosterol as substrate by HPLC analysi...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM213822 (EPL-BS0967 (UDD)) Show SMILES FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C23H20F6N4/c24-22(25,26)16-3-6-18(7-4-16)33(20-2-1-11-30-15-20)19-9-12-32(13-10-19)21-8-5-17(14-31-21)23(27,28)29/h1-8,11,14-15,19H,9-10,12-13H2	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM213822 (EPL-BS0967 (UDD)) Show SMILES FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C23H20F6N4/c24-22(25,26)16-3-6-18(7-4-16)33(20-2-1-11-30-15-20)19-9-12-32(13-10-19)21-8-5-17(14-31-21)23(27,28)29/h1-8,11,14-15,19H,9-10,12-13H2	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM213823 (EPL-BS1246 (UDO)) Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H](c1ccc(Cl)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2/t22-/m0/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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM213822 (EPL-BS0967 (UDD)) Show SMILES FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C23H20F6N4/c24-22(25,26)16-3-6-18(7-4-16)33(20-2-1-11-30-15-20)19-9-12-32(13-10-19)21-8-5-17(14-31-21)23(27,28)29/h1-8,11,14-15,19H,9-10,12-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM213823 (EPL-BS1246 (UDO)) Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H](c1ccc(Cl)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2/t22-/m0/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	2.00E+4	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50465948 (CHEMBL3629567) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(F)c1 |r| Show InChI InChI=1S/C32H23F2N5O2/c33-26-13-10-21(11-14-26)25-12-15-27(28(34)18-25)29(19-39-17-16-35-20-39)36-30(40)22-6-8-24(9-7-22)32-38-37-31(41-32)23-4-2-1-3-5-23/h1-18,20,29H,19H2,(H,36,40)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 hr using [3H] lanosterol as substrate by HPLC analysi...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505767 (CHEMBL4472919) Show SMILES COc1ccc(cc1)-c1cc(ccc1[C@H](Cn1ccnc1)NC(=O)c1ccc(cc1)-c1nnc(o1)-c1ccccc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C39H30FN5O3/c1-47-33-18-13-27(14-19-33)35-23-31(26-11-16-32(40)17-12-26)15-20-34(35)36(24-45-22-21-41-25-45)42-37(46)28-7-9-30(10-8-28)39-44-43-38(48-39)29-5-3-2-4-6-29/h2-23,25,36H,24H2,1H3,(H,42,46)/t36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 hr using [3H] lanosterol as substrate by HPLC analysi...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505762 (CHEMBL4452294) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(c1)-c1ccco1 |r| Show InChI InChI=1S/C36H26FN5O3/c37-29-15-12-24(13-16-29)28-14-17-30(31(21-28)33-7-4-20-44-33)32(22-42-19-18-38-23-42)39-34(43)25-8-10-27(11-9-25)36-41-40-35(45-36)26-5-2-1-3-6-26/h1-21,23,32H,22H2,(H,39,43)/t32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 hr using [3H] lanosterol as substrate by HPLC analysi...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505759 (CHEMBL4593688) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C36H26FN5O2/c37-28-16-14-24(15-17-28)29-18-19-32(31-9-5-4-8-30(29)31)33(22-42-21-20-38-23-42)39-34(43)25-10-12-27(13-11-25)36-41-40-35(44-36)26-6-2-1-3-7-26/h1-21,23,33H,22H2,(H,39,43)/t33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 hr using [3H] lanosterol as substrate by HPLC analysi...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50505760 (CHEMBL4458275) Show SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(c1)-c1ccccc1 |r| Show InChI InChI=1S/C38H28FN5O2/c39-32-18-15-26(16-19-32)31-17-20-33(34(23-31)27-7-3-1-4-8-27)35(24-44-22-21-40-25-44)41-36(45)28-11-13-30(14-12-28)38-43-42-37(46-38)29-9-5-2-6-10-29/h1-23,25,35H,24H2,(H,41,45)/t35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 hr using [3H] lanosterol as substrate by HPLC analysi...				J Med Chem 62: 10391-10401 (2019) Article DOI: 10.1021/acs.jmedchem.9b01485 BindingDB Entry DOI: 10.7270/Q2TM7FC7
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM25810 (2-phenyl-N-(pyridin-4-yl)butanamide | 2-phenyl-N-p...) Show SMILES CCC(C(=O)Nc1ccncc1)c1ccccc1 Show InChI InChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	440	n/a	n/a	n/a	7.4	24
Vanderbilt University					Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...				J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM29341 (ChemDiv 5556-0480, 7) Show SMILES O=C(Nc1ccncc1)C1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C19H14N2O2/c22-19(21-13-9-11-20-12-10-13)18-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)18/h1-12,18H,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	750	n/a	n/a	n/a	7.4	24
Vanderbilt University					Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...				J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM29342 (ChemDiv C155-0123, 9) Show SMILES CC1CCC(CC1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |(6.19,11.83,;4.86,11.06,;3.53,11.83,;2.19,11.06,;2.19,9.52,;3.53,8.75,;4.86,9.52,;.86,8.75,;-.47,9.52,;.86,7.21,;-.47,6.44,;-1.81,7.21,;-3.14,6.44,;-3.62,4.98,;-5.16,4.98,;-5.63,6.44,;-7.04,7.07,;-7.2,8.6,;-5.96,9.5,;-4.55,8.88,;-4.39,7.35,;-.47,4.9,;.86,4.13,;-1.81,4.13,;-1.81,2.59,;-3.14,1.82,;-3.14,.28,;-1.81,-.49,;-.47,.28,;-.47,1.82,)| Show InChI InChI=1S/C24H28N4O2/c1-16-6-8-17(9-7-16)23(29)28-22(24(30)27-19-10-12-25-13-11-19)14-18-15-26-21-5-3-2-4-20(18)21/h2-5,10-13,15-17,22,26H,6-9,14H2,1H3,(H,28,29)(H,25,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	240	n/a	n/a	n/a	7.4	24
Vanderbilt University					Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...				J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM22962 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3cccnc3)c2c1 Show InChI InChI=1S/C24H20ClN3O3/c1-15-20(13-23(29)27-18-4-3-11-26-14-18)21-12-19(31-2)9-10-22(21)28(15)24(30)16-5-7-17(25)8-6-16/h3-12,14H,13H2,1-2H3,(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	290	n/a	n/a	n/a	7.4	24
Vanderbilt University					Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...				J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM29343 (Indomethacin-amide derivative, 13) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3cccnc3C)c2c1 Show InChI InChI=1S/C25H22ClN3O3/c1-15-22(5-4-12-27-15)28-24(30)14-20-16(2)29(23-11-10-19(32-3)13-21(20)23)25(31)17-6-8-18(26)9-7-17/h4-13H,14H2,1-3H3,(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	7.4	24
Vanderbilt University					Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...				J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM29344 (Indomethacin-amide derivative, 14) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCc3ccncc3)c2c1 Show InChI InChI=1S/C25H22ClN3O3/c1-16-21(14-24(30)28-15-17-9-11-27-12-10-17)22-13-20(32-2)7-8-23(22)29(16)25(31)18-3-5-19(26)6-4-18/h3-13H,14-15H2,1-2H3,(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	540	n/a	n/a	n/a	7.4	24
Vanderbilt University					Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...				J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM29345 (Indomethacin-amide derivative, 15) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NC(C)c3ccncc3)c2c1 Show InChI InChI=1S/C26H24ClN3O3/c1-16(18-10-12-28-13-11-18)29-25(31)15-22-17(2)30(24-9-8-21(33-3)14-23(22)24)26(32)19-4-6-20(27)7-5-19/h4-14,16H,15H2,1-3H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	370	n/a	n/a	n/a	7.4	24
Vanderbilt University					Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...				J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM29346 (Indomethacin-amide derivative, 16) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3ccccn3)c2c1 Show InChI InChI=1S/C24H20ClN3O3/c1-15-19(14-23(29)27-22-5-3-4-12-26-22)20-13-18(31-2)10-11-21(20)28(15)24(30)16-6-8-17(25)9-7-16/h3-13H,14H2,1-2H3,(H,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	7.4	24
Vanderbilt University					Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...				J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM29347 (Indomethacin-amide derivative, 19) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCc3ccc(nc3)C(F)(F)F)c2c1 Show InChI InChI=1S/C26H21ClF3N3O3/c1-15-20(12-24(34)32-14-16-3-10-23(31-13-16)26(28,29)30)21-11-19(36-2)8-9-22(21)33(15)25(35)17-4-6-18(27)7-5-17/h3-11,13H,12,14H2,1-2H3,(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	560	n/a	n/a	n/a	7.4	24
Vanderbilt University					Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...				J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM29348 (Indomethacin-amide derivative, 18) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCc3ccc(Cl)nc3)c2c1 Show InChI InChI=1S/C25H21Cl2N3O3/c1-15-20(12-24(31)29-14-16-3-10-23(27)28-13-16)21-11-19(33-2)8-9-22(21)30(15)25(32)17-4-6-18(26)7-5-17/h3-11,13H,12,14H2,1-2H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	260	n/a	n/a	n/a	7.4	24
Vanderbilt University					Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...				J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM29349 (Indomethacin-amide derivative, 20) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCc3cccnc3)c2c1 Show InChI InChI=1S/C26H24ClN3O3/c1-17-22(15-25(31)29-13-11-18-4-3-12-28-16-18)23-14-21(33-2)9-10-24(23)30(17)26(32)19-5-7-20(27)8-6-19/h3-10,12,14,16H,11,13,15H2,1-2H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.31E+3	n/a	n/a	n/a	7.4	24
Vanderbilt University					Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...				J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM29350 (Indomethacin-amide derivative, 21) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C27H24Cl2N2O3/c1-17-23(16-26(32)30-13-12-18-4-3-5-21(29)14-18)24-15-22(34-2)10-11-25(24)31(17)27(33)19-6-8-20(28)9-7-19/h3-11,14-15H,12-13,16H2,1-2H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	360	n/a	n/a	n/a	7.4	24
Vanderbilt University					Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...				J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM29351 (Indomethacin-amide derivative, 22) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCC(C)c3ccccc3)c2c1 Show InChI InChI=1S/C28H27ClN2O3/c1-18(20-7-5-4-6-8-20)17-30-27(32)16-24-19(2)31(26-14-13-23(34-3)15-25(24)26)28(33)21-9-11-22(29)12-10-21/h4-15,18H,16-17H2,1-3H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	150	n/a	n/a	n/a	7.4	24
Vanderbilt University					Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...				J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM81297 (Azole, 1) Show SMILES Clc1ccc(cc1)C(CNC(=O)c1ccccc1)(c1ccc(Cl)cc1)n1ccnc1 Show InChI InChI=1S/C24H19Cl2N3O/c25-21-10-6-19(7-11-21)24(29-15-14-27-17-29,20-8-12-22(26)13-9-20)16-28-23(30)18-4-2-1-3-5-18/h1-15,17H,16H2,(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	320	n/a	n/a	n/a	6.0	n/a
Vanderbilt University					Assay Description Azole derivatives used as an inhibitor of TB and TC CYP51.				Chem Biol 14: 1283-93 (2007) Article DOI: 10.1016/j.chembiol.2007.10.011 BindingDB Entry DOI: 10.7270/Q22J69B7
					More data for this Ligand-Target Pair
Lanosterol 14-alpha-demethylase (Trypanosoma brucei)	BDBM81297 (Azole, 1) Show SMILES Clc1ccc(cc1)C(CNC(=O)c1ccccc1)(c1ccc(Cl)cc1)n1ccnc1 Show InChI InChI=1S/C24H19Cl2N3O/c25-21-10-6-19(7-11-21)24(29-15-14-27-17-29,20-8-12-22(26)13-9-20)16-28-23(30)18-4-2-1-3-5-18/h1-15,17H,16H2,(H,28,30)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.01E+3	n/a	n/a	n/a	6.0	n/a
Vanderbilt University					Assay Description Azole derivatives used as an inhibitor of TB and TC CYP51.				Chem Biol 14: 1283-93 (2007) Article DOI: 10.1016/j.chembiol.2007.10.011 BindingDB Entry DOI: 10.7270/Q22J69B7
					More data for this Ligand-Target Pair

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