Compile Data Set for Download or QSAR

Found 32 hits of kd data for polymerid = 50000911,8985   

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
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	n/a	20	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant full length human CYP51 expressed in Escherichia coli incubated for 30 sec using [3H] labelled substrate by HPLC anal...				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))	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 antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	26	n/a	n/a	n/a	7.4	37
Vanderbilt University					Assay Description Briefly, the reaction mixture contained 1 uM CYP51, 2 uM cytochrome P450 reductase, 100 uM dilauroyl-alpha-phosphatidylcholine, 0.4 mg/ml isoctrate d...				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))	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	n/a	60	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant full length human CYP51 expressed in Escherichia coli incubated for 30 sec using [3H] labelled substrate by HPLC anal...				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))	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 antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	69	n/a	n/a	n/a	7.4	37
Vanderbilt University					Assay Description Briefly, the reaction mixture contained 1 uM CYP51, 2 uM cytochrome P450 reductase, 100 uM dilauroyl-alpha-phosphatidylcholine, 0.4 mg/ml isoctrate d...				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))	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	n/a	90	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant full length human CYP51 expressed in Escherichia coli incubated for 30 sec using [3H] labelled substrate by HPLC anal...				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))	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	n/a	90	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant full length human CYP51 expressed in Escherichia coli incubated for 30 sec using [3H] labelled substrate by HPLC anal...				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))	BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
Swansea University Curated by ChEMBL					Assay Description Binding affinity to human CYP51				Antimicrob Agents Chemother 53: 1157-64 (2009) Article DOI: 10.1128/AAC.01237-08 BindingDB Entry DOI: 10.7270/Q22V2GCB
					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	n/a	130	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant full length human CYP51 expressed in Escherichia coli incubated for 30 sec using [3H] labelled substrate by HPLC anal...				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	n/a	150	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant full length human CYP51 expressed in Escherichia coli incubated for 30 sec using [3H] labelled substrate by HPLC anal...				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))	BDBM50375211 (CHEMBL535872) Show SMILES CCCN(CCc1ccc2ccccc2c1)CC(O)c1cccnc1 Show InChI InChI=1S/C22H26N2O/c1-2-13-24(17-22(25)21-8-5-12-23-16-21)14-11-18-9-10-19-6-3-4-7-20(19)15-18/h3-10,12,15-16,22,25H,2,11,13-14,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50375213 (CHEMBL537002) Show SMILES CCCN(CCc1ccc(Cl)c(Cl)c1)CC(O)c1cccnc1 Show InChI InChI=1S/C18H22Cl2N2O/c1-2-9-22(13-18(23)15-4-3-8-21-12-15)10-7-14-5-6-16(19)17(20)11-14/h3-6,8,11-12,18,23H,2,7,9-10,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					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	n/a	470	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant full length human CYP51 expressed in Escherichia coli incubated for 30 sec using [3H] labelled substrate by HPLC anal...				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	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant full length human CYP51 expressed in Escherichia coli incubated for 30 sec using [3H] labelled substrate by HPLC anal...				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))	BDBM50280424 (1-(4-Azido-phenyl)-2-imidazol-1-yl-ethanol | CHEMB...) Show SMILES OC(Cn1ccnc1)c1ccc(cc1)N=[N+]=[N-] Show InChI InChI=1S/C11H11N5O/c12-15-14-10-3-1-9(2-4-10)11(17)7-16-6-5-13-8-16/h1-6,8,11,17H,7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for cytochrome P450 14DM				Bioorg Med Chem Lett 2: 383-386 (1992) Article DOI: 10.1016/S0960-894X(00)80151-1 BindingDB Entry DOI: 10.7270/Q2GX4BFR
					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	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant full length human CYP51 expressed in Escherichia coli incubated for 30 sec using [3H] labelled substrate by HPLC anal...				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))	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	n/a	2.32E+3	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant full length human CYP51 expressed in Escherichia coli incubated for 30 sec using [3H] labelled substrate by HPLC anal...				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	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant full length human CYP51 expressed in Escherichia coli incubated for 30 sec using [3H] labelled substrate by HPLC anal...				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))	BDBM50375212 (CHEMBL558189) Show SMILES CCCN(CCc1ccc(Cl)cc1)CC(O)c1ccncc1 Show InChI InChI=1S/C18H23ClN2O/c1-2-12-21(13-9-15-3-5-17(19)6-4-15)14-18(22)16-7-10-20-11-8-16/h3-8,10-11,18,22H,2,9,12-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					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	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant full length human CYP51 expressed in Escherichia coli incubated for 30 sec using [3H] labelled substrate by HPLC anal...				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))	BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a
ACT LLC Curated by ChEMBL					Assay Description Binding affinity to human CYP51				Drug Metab Dispos 35: 493-500 (2007) Article DOI: 10.1124/dmd.106.013888 BindingDB Entry DOI: 10.7270/Q2DF6S2H
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50280426 (1-(4-Azido-benzyl)-1H-imidazole | CHEMBL447478) Show SMILES [N-]=[N+]=Nc1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C10H9N5/c11-14-13-10-3-1-9(2-4-10)7-15-6-5-12-8-15/h1-6,8H,7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for cytochrome P450 14DM				Bioorg Med Chem Lett 2: 383-386 (1992) Article DOI: 10.1016/S0960-894X(00)80151-1 BindingDB Entry DOI: 10.7270/Q2GX4BFR
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50280425 (1-(4-Azido-phenyl)-2-imidazol-1-yl-ethanone | CHEM...) Show SMILES [N-]=[N+]=Nc1ccc(cc1)C(=O)Cn1ccnc1 Show InChI InChI=1S/C11H9N5O/c12-15-14-10-3-1-9(2-4-10)11(17)7-16-6-5-13-8-16/h1-6,8H,7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for cytochrome P450 14DM				Bioorg Med Chem Lett 2: 383-386 (1992) Article DOI: 10.1016/S0960-894X(00)80151-1 BindingDB Entry DOI: 10.7270/Q2GX4BFR
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50280427 (1-(4-Azido-phenyl)-1H-imidazole | CHEMBL127685) Show SMILES [N-]=[N+]=Nc1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C9H7N5/c10-13-12-8-1-3-9(4-2-8)14-6-5-11-7-14/h1-7H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for cytochrome P450 14DM				Bioorg Med Chem Lett 2: 383-386 (1992) Article DOI: 10.1016/S0960-894X(00)80151-1 BindingDB Entry DOI: 10.7270/Q2GX4BFR
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50375218 (CHEMBL557376) Show SMILES CCCN(CCc1ccc(F)c(F)c1)CC(O)c1cccnc1 Show InChI InChI=1S/C18H22F2N2O/c1-2-9-22(13-18(23)15-4-3-8-21-12-15)10-7-14-5-6-16(19)17(20)11-14/h3-6,8,11-12,18,23H,2,7,9-10,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50375217 (CHEMBL537003) Show SMILES CCCN(CCc1ccc(OC)c(OC)c1)CC(O)c1cccnc1 Show InChI InChI=1S/C20H28N2O3/c1-4-11-22(15-18(23)17-6-5-10-21-14-17)12-9-16-7-8-19(24-2)20(13-16)25-3/h5-8,10,13-14,18,23H,4,9,11-12,15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50375216 (CHEMBL537231) Show SMILES CCCN(CCc1ccccc1Cl)CC(O)c1ccncc1 Show InChI InChI=1S/C18H23ClN2O/c1-2-12-21(13-9-15-5-3-4-6-17(15)19)14-18(22)16-7-10-20-11-8-16/h3-8,10-11,18,22H,2,9,12-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) Show SMILES OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) Show SMILES OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a
Swansea University Curated by ChEMBL					Assay Description Binding affinity to human CYP51				Antimicrob Agents Chemother 53: 1157-64 (2009) Article DOI: 10.1128/AAC.01237-08 BindingDB Entry DOI: 10.7270/Q22V2GCB
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) Show SMILES OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a
ACT LLC Curated by ChEMBL					Assay Description Binding affinity to human CYP51				Drug Metab Dispos 35: 493-500 (2007) Article DOI: 10.1124/dmd.106.013888 BindingDB Entry DOI: 10.7270/Q2DF6S2H
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50375214 (CHEMBL536772) Show SMILES CCCN(CCc1cccnc1)CC(O)c1cccnc1 Show InChI InChI=1S/C17H23N3O/c1-2-10-20(11-7-15-5-3-8-18-12-15)14-17(21)16-6-4-9-19-13-16/h3-6,8-9,12-13,17,21H,2,7,10-11,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.60E+5	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50375215 (CHEMBL538591) Show SMILES CCCN(CCc1ccc(Cl)c(Cl)c1)CC(O)c1cc(C)ccn1 Show InChI InChI=1S/C19H24Cl2N2O/c1-3-9-23(10-7-15-4-5-16(20)17(21)12-15)13-19(24)18-11-14(2)6-8-22-18/h4-6,8,11-12,19,24H,3,7,9-10,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair