Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50005674   

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
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493521 (CHEMBL2431544) Show SMILES Fc1cc(ccc1-c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C29H23FN4O2/c30-25-16-20(10-11-23(25)19-6-2-1-3-7-19)28(35)34-27(29(36)33-22-12-14-31-15-13-22)17-21-18-32-26-9-5-4-8-24(21)26/h1-16,18,27,32H,17H2,(H,34,35)(H,31,33,36)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493574 (CHEMBL2431548) Show SMILES Fc1ccccc1-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r| Show InChI InChI=1S/C29H22F2N4O2/c30-24-7-3-1-5-21(24)18-9-10-23(25(31)15-18)28(36)35-27(29(37)34-20-11-13-32-14-12-20)16-19-17-33-26-8-4-2-6-22(19)26/h1-15,17,27,33H,16H2,(H,35,36)(H,32,34,37)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493523 (CHEMBL2431629) Show SMILES Clc1ccccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C23H19ClN4O2/c24-19-7-3-1-6-18(19)22(29)28-21(23(30)27-16-9-11-25-12-10-16)13-15-14-26-20-8-4-2-5-17(15)20/h1-12,14,21,26H,13H2,(H,28,29)(H,25,27,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493524 (CHEMBL2431646) Show SMILES COc1ccc(CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)cc1 |r| Show InChI InChI=1S/C26H26N4O3/c1-33-21-9-6-18(7-10-21)8-11-25(31)30-24(26(32)29-20-12-14-27-15-13-20)16-19-17-28-23-5-3-2-4-22(19)23/h2-7,9-10,12-15,17,24,28H,8,11,16H2,1H3,(H,30,31)(H,27,29,32)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493525 (CHEMBL2431642) Show SMILES FC1(F)CCC(CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C23H24F2N4O2/c24-23(25)9-5-15(6-10-23)21(30)29-20(22(31)28-17-7-11-26-12-8-17)13-16-14-27-19-4-2-1-3-18(16)19/h1-4,7-8,11-12,14-15,20,27H,5-6,9-10,13H2,(H,29,30)(H,26,28,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	792	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493526 (CHEMBL2431652) Show SMILES O=C(Nc1ccncc1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C23H26N4O2/c28-22(16-6-2-1-3-7-16)27-21(23(29)26-18-10-12-24-13-11-18)14-17-15-25-20-9-5-4-8-19(17)20/h4-5,8-13,15-16,21,25H,1-3,6-7,14H2,(H,27,28)(H,24,26,29)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493527 (CHEMBL2431541) Show SMILES Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)N1CCN(CC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C33H31FN6O4S/c34-29-21-25(39-16-18-40(19-17-39)45(43,44)26-6-2-1-3-7-26)10-11-28(29)32(41)38-31(33(42)37-24-12-14-35-15-13-24)20-23-22-36-30-9-5-4-8-27(23)30/h1-15,21-22,31,36H,16-20H2,(H,38,41)(H,35,37,42)/t31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493528 (CHEMBL2431539) Show SMILES Fc1cc(Nc2ccccc2)ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C29H24FN5O2/c30-25-17-22(33-20-6-2-1-3-7-20)10-11-24(25)28(36)35-27(29(37)34-21-12-14-31-15-13-21)16-19-18-32-26-9-5-4-8-23(19)26/h1-15,17-18,27,32-33H,16H2,(H,35,36)(H,31,34,37)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493529 (CHEMBL2431537) Show SMILES Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C31H23FN4O2/c32-27-18-22(11-10-21-6-2-1-3-7-21)12-13-26(27)30(37)36-29(31(38)35-24-14-16-33-17-15-24)19-23-20-34-28-9-5-4-8-25(23)28/h1-9,12-18,20,29,34H,19H2,(H,36,37)(H,33,35,38)/t29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493530 (CHEMBL2431535) Show SMILES Oc1ccc(cc1F)-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r| Show InChI InChI=1S/C29H22F2N4O3/c30-23-13-17(18-6-8-27(36)24(31)14-18)5-7-22(23)28(37)35-26(29(38)34-20-9-11-32-12-10-20)15-19-16-33-25-4-2-1-3-21(19)25/h1-14,16,26,33,36H,15H2,(H,35,37)(H,32,34,38)/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493531 (CHEMBL2431532) Show SMILES COc1ccc(cc1F)-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r| Show InChI InChI=1S/C30H24F2N4O3/c1-39-28-9-7-19(15-25(28)32)18-6-8-23(24(31)14-18)29(37)36-27(30(38)35-21-10-12-33-13-11-21)16-20-17-34-26-5-3-2-4-22(20)26/h2-15,17,27,34H,16H2,1H3,(H,36,37)(H,33,35,38)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493532 (CHEMBL2431531) Show SMILES Fc1ccc(cc1F)-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r| Show InChI InChI=1S/C29H21F3N4O2/c30-23-8-6-18(14-25(23)32)17-5-7-22(24(31)13-17)28(37)36-27(29(38)35-20-9-11-33-12-10-20)15-19-16-34-26-4-2-1-3-21(19)26/h1-14,16,27,34H,15H2,(H,36,37)(H,33,35,38)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493533 (CHEMBL2431622) Show SMILES Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H22ClFN4O2/c30-21-8-5-18(6-9-21)19-7-10-24(25(31)15-19)28(36)35-27(29(37)34-22-11-13-32-14-12-22)16-20-17-33-26-4-2-1-3-23(20)26/h1-15,17,27,33H,16H2,(H,35,36)(H,32,34,37)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493534 (CHEMBL2431621) Show SMILES Fc1ccc(F)c(c1)-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r| Show InChI InChI=1S/C29H21F3N4O2/c30-19-6-8-24(31)23(15-19)17-5-7-22(25(32)13-17)28(37)36-27(29(38)35-20-9-11-33-12-10-20)14-18-16-34-26-4-2-1-3-21(18)26/h1-13,15-16,27,34H,14H2,(H,36,37)(H,33,35,38)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493535 (CHEMBL2431546) Show SMILES Fc1cccc(c1)-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r| Show InChI InChI=1S/C29H22F2N4O2/c30-21-5-3-4-18(14-21)19-8-9-24(25(31)15-19)28(36)35-27(29(37)34-22-10-12-32-13-11-22)16-20-17-33-26-7-2-1-6-23(20)26/h1-15,17,27,33H,16H2,(H,35,36)(H,32,34,37)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493536 (CHEMBL2431543) Show SMILES O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C29H24N4O2/c34-28(22-10-6-9-21(17-22)20-7-2-1-3-8-20)33-27(29(35)32-24-13-15-30-16-14-24)18-23-19-31-26-12-5-4-11-25(23)26/h1-17,19,27,31H,18H2,(H,33,34)(H,30,32,35)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493537 (CHEMBL2431635) Show SMILES Fc1c(ccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C27H21FN4O2/c28-25-21-7-2-1-5-17(21)9-10-22(25)26(33)32-24(27(34)31-19-11-13-29-14-12-19)15-18-16-30-23-8-4-3-6-20(18)23/h1-14,16,24,30H,15H2,(H,32,33)(H,29,31,34)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493538 (CHEMBL2431627) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C24H19F3N4O2/c25-24(26,27)17-7-5-15(6-8-17)22(32)31-21(23(33)30-18-9-11-28-12-10-18)13-16-14-29-20-4-2-1-3-19(16)20/h1-12,14,21,29H,13H2,(H,31,32)(H,28,30,33)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493539 (CHEMBL2431626) Show SMILES O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(Oc2ccccc2)c1 |r| Show InChI InChI=1S/C29H24N4O3/c34-28(20-7-6-10-24(17-20)36-23-8-2-1-3-9-23)33-27(29(35)32-22-13-15-30-16-14-22)18-21-19-31-26-12-5-4-11-25(21)26/h1-17,19,27,31H,18H2,(H,33,34)(H,30,32,35)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493540 (CHEMBL2429886) Show SMILES O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C30H32N4O3/c35-29(22-9-5-2-6-10-22)34-28(30(36)33-24-13-15-31-16-14-24)17-23-19-32-27-12-11-25(18-26(23)27)37-20-21-7-3-1-4-8-21/h1,3-4,7-8,11-16,18-19,22,28,32H,2,5-6,9-10,17,20H2,(H,34,35)(H,31,33,36)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493541 (CHEMBL2431643) Show SMILES O=C(Cc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C24H22N4O2/c29-23(14-17-6-2-1-3-7-17)28-22(24(30)27-19-10-12-25-13-11-19)15-18-16-26-21-9-5-4-8-20(18)21/h1-13,16,22,26H,14-15H2,(H,28,29)(H,25,27,30)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493542 (CHEMBL2431640) Show SMILES Cn1cc(C[C@H](NC(=O)C2CCCCC2)C(=O)Nc2ccncc2)c2ccccc12 |r| Show InChI InChI=1S/C24H28N4O2/c1-28-16-18(20-9-5-6-10-22(20)28)15-21(24(30)26-19-11-13-25-14-12-19)27-23(29)17-7-3-2-4-8-17/h5-6,9-14,16-17,21H,2-4,7-8,15H2,1H3,(H,27,29)(H,25,26,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493543 (CHEMBL2431648) Show SMILES Fc1ccc(CCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)cc1 |r| Show InChI InChI=1S/C26H25FN4O2/c27-20-10-8-18(9-11-20)4-3-7-25(32)31-24(26(33)30-21-12-14-28-15-13-21)16-19-17-29-23-6-2-1-5-22(19)23/h1-2,5-6,8-15,17,24,29H,3-4,7,16H2,(H,31,32)(H,28,30,33)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493544 (CHEMBL2431647) Show SMILES FC(F)(F)c1ccc(CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)cc1 |r| Show InChI InChI=1S/C26H23F3N4O2/c27-26(28,29)19-8-5-17(6-9-19)7-10-24(34)33-23(25(35)32-20-11-13-30-14-12-20)15-18-16-31-22-4-2-1-3-21(18)22/h1-6,8-9,11-14,16,23,31H,7,10,15H2,(H,33,34)(H,30,32,35)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493545 (CHEMBL2431529) Show SMILES CC(C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccncc1 |r,wD:3.2,(20.24,-15.43,;18.91,-16.2,;17.58,-15.44,;18.92,-17.74,;20.25,-18.5,;21.58,-17.73,;21.58,-16.19,;22.92,-18.49,;24.25,-17.72,;25.58,-18.49,;25.58,-20.03,;26.92,-20.8,;24.25,-20.8,;22.92,-20.03,;17.59,-18.51,;17.59,-20.05,;16.25,-17.75,;14.92,-18.52,;13.58,-17.76,;12.25,-18.53,;12.25,-20.07,;13.58,-20.85,;14.92,-20.07,)| Show InChI InChI=1S/C18H27N3O2/c1-12(2)16(18(23)20-15-8-10-19-11-9-15)21-17(22)14-6-4-13(3)5-7-14/h8-14,16H,4-7H2,1-3H3,(H,21,22)(H,19,20,23)/t13?,14?,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493546 (CHEMBL2431633) Show SMILES Fc1cc(Br)ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C23H18BrFN4O2/c24-15-5-6-18(19(25)12-15)22(30)29-21(23(31)28-16-7-9-26-10-8-16)11-14-13-27-20-4-2-1-3-17(14)20/h1-10,12-13,21,27H,11H2,(H,29,30)(H,26,28,31)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493547 (CHEMBL2431641) Show SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)C3CCCCC3)C(=O)Nc3ccncc3)c2c1 |r| Show InChI InChI=1S/C23H26N4O3/c28-18-6-7-20-19(13-18)16(14-25-20)12-21(23(30)26-17-8-10-24-11-9-17)27-22(29)15-4-2-1-3-5-15/h6-11,13-15,21,25,28H,1-5,12H2,(H,27,29)(H,24,26,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493548 (CHEMBL2431634) Show SMILES O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H22N4O2/c32-26(20-10-9-18-5-1-2-6-19(18)15-20)31-25(27(33)30-22-11-13-28-14-12-22)16-21-17-29-24-8-4-3-7-23(21)24/h1-15,17,25,29H,16H2,(H,31,32)(H,28,30,33)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493549 (CHEMBL2431649) Show SMILES O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H20N4O2/c28-22(16-6-2-1-3-7-16)27-21(23(29)26-18-10-12-24-13-11-18)14-17-15-25-20-9-5-4-8-19(17)20/h1-13,15,21,25H,14H2,(H,27,28)(H,24,26,29)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493550 (CHEMBL2431645) Show SMILES O=C(CCCc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C26H26N4O2/c31-25(12-6-9-19-7-2-1-3-8-19)30-24(26(32)29-21-13-15-27-16-14-21)17-20-18-28-23-11-5-4-10-22(20)23/h1-5,7-8,10-11,13-16,18,24,28H,6,9,12,17H2,(H,30,31)(H,27,29,32)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493551 (CHEMBL2431630) Show SMILES Fc1ccc(F)c(c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C23H18F2N4O2/c24-15-5-6-19(25)18(12-15)22(30)29-21(23(31)28-16-7-9-26-10-8-16)11-14-13-27-20-4-2-1-3-17(14)20/h1-10,12-13,21,27H,11H2,(H,29,30)(H,26,28,31)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493552 (CHEMBL2431545) Show SMILES Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)-c1ccccc1 |r| Show InChI InChI=1S/C29H23FN4O2/c30-25-16-20(19-6-2-1-3-7-19)10-11-24(25)28(35)34-27(29(36)33-22-12-14-31-15-13-22)17-21-18-32-26-9-5-4-8-23(21)26/h1-16,18,27,32H,17H2,(H,34,35)(H,31,33,36)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493553 (CHEMBL2431650) Show SMILES Fc1ccccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C23H19FN4O2/c24-19-7-3-1-6-18(19)22(29)28-21(23(30)27-16-9-11-25-12-10-16)13-15-14-26-20-8-4-2-5-17(15)20/h1-12,14,21,26H,13H2,(H,28,29)(H,25,27,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493554 (CHEMBL2431542) Show SMILES Cl.Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)N1CCNCC1 |r| Show InChI InChI=1S/C27H27FN6O2.ClH/c28-23-16-20(34-13-11-30-12-14-34)5-6-22(23)26(35)33-25(27(36)32-19-7-9-29-10-8-19)15-18-17-31-24-4-2-1-3-21(18)24;/h1-10,16-17,25,30-31H,11-15H2,(H,33,35)(H,29,32,36);1H/t25-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493555 (CHEMBL2431547) Show SMILES Fc1ccc(cc1)-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r| Show InChI InChI=1S/C29H22F2N4O2/c30-21-8-5-18(6-9-21)19-7-10-24(25(31)15-19)28(36)35-27(29(37)34-22-11-13-32-14-12-22)16-20-17-33-26-4-2-1-3-23(20)26/h1-15,17,27,33H,16H2,(H,35,36)(H,32,34,37)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493556 (CHEMBL2431528) Show SMILES CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccncc1 |r,wD:4.3,(21.56,-13.12,;20.23,-13.9,;20.24,-15.43,;18.91,-16.2,;18.92,-17.74,;20.25,-18.5,;21.58,-17.73,;21.58,-16.19,;22.92,-18.49,;24.25,-17.72,;25.58,-18.49,;25.58,-20.03,;26.92,-20.8,;24.25,-20.8,;22.92,-20.03,;17.59,-18.51,;17.59,-20.05,;16.25,-17.75,;14.92,-18.52,;13.58,-17.76,;12.25,-18.53,;12.25,-20.07,;13.58,-20.85,;14.92,-20.07,)| Show InChI InChI=1S/C18H27N3O2S/c1-13-3-5-14(6-4-13)17(22)21-16(9-12-24-2)18(23)20-15-7-10-19-11-8-15/h7-8,10-11,13-14,16H,3-6,9,12H2,1-2H3,(H,21,22)(H,19,20,23)/t13?,14?,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493557 (CHEMBL2431637) Show SMILES Brc1ccc2cc(ccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C27H21BrN4O2/c28-21-8-7-17-13-19(6-5-18(17)14-21)26(33)32-25(27(34)31-22-9-11-29-12-10-22)15-20-16-30-24-4-2-1-3-23(20)24/h1-14,16,25,30H,15H2,(H,32,33)(H,29,31,34)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493558 (CHEMBL2431628) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C24H22N4O3/c1-31-19-8-6-16(7-9-19)23(29)28-22(24(30)27-18-10-12-25-13-11-18)14-17-15-26-21-5-3-2-4-20(17)21/h2-13,15,22,26H,14H2,1H3,(H,28,29)(H,25,27,30)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493559 (CHEMBL2431639) Show SMILES O=C(Nc1ccncc1)[C@H](Cc1cccc2ccccc12)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C25H27N3O2/c29-24(19-8-2-1-3-9-19)28-23(25(30)27-21-13-15-26-16-14-21)17-20-11-6-10-18-7-4-5-12-22(18)20/h4-7,10-16,19,23H,1-3,8-9,17H2,(H,28,29)(H,26,27,30)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493560 (CHEMBL2431538) Show SMILES Fc1cc(\C=C\c2ccc(Cl)cc2)ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C31H24ClFN4O2/c32-23-10-7-20(8-11-23)5-6-21-9-12-26(27(33)17-21)30(38)37-29(31(39)36-24-13-15-34-16-14-24)18-22-19-35-28-4-2-1-3-25(22)28/h1-17,19,29,35H,18H2,(H,37,38)(H,34,36,39)/b6-5+/t29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493561 (CHEMBL2431534) Show SMILES Fc1cc(ccc1OCc1ccccc1)-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r| Show InChI InChI=1S/C36H28F2N4O3/c37-30-18-24(25-11-13-34(31(38)19-25)45-22-23-6-2-1-3-7-23)10-12-29(30)35(43)42-33(36(44)41-27-14-16-39-17-15-27)20-26-21-40-32-9-5-4-8-28(26)32/h1-19,21,33,40H,20,22H2,(H,42,43)(H,39,41,44)/t33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493562 (CHEMBL2431623) Show SMILES Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C29H22ClFN4O2/c30-21-5-3-4-18(14-21)19-8-9-24(25(31)15-19)28(36)35-27(29(37)34-22-10-12-32-13-11-22)16-20-17-33-26-7-2-1-6-23(20)26/h1-15,17,27,33H,16H2,(H,35,36)(H,32,34,37)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493563 (CHEMBL2429885) Show SMILES O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C29H24N4O2/c34-28(22-12-10-21(11-13-22)20-6-2-1-3-7-20)33-27(29(35)32-24-14-16-30-17-15-24)18-23-19-31-26-9-5-4-8-25(23)26/h1-17,19,27,31H,18H2,(H,33,34)(H,30,32,35)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493564 (CHEMBL2431631) Show SMILES Fc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r| Show InChI InChI=1S/C23H18F2N4O2/c24-15-5-6-18(19(25)12-15)22(30)29-21(23(31)28-16-7-9-26-10-8-16)11-14-13-27-20-4-2-1-3-17(14)20/h1-10,12-13,21,27H,11H2,(H,29,30)(H,26,28,31)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493565 (CHEMBL2431625) Show SMILES Fc1cccc(c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C23H19FN4O2/c24-17-5-3-4-15(12-17)22(29)28-21(23(30)27-18-8-10-25-11-9-18)13-16-14-26-20-7-2-1-6-19(16)20/h1-12,14,21,26H,13H2,(H,28,29)(H,25,27,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493566 (CHEMBL2431638) Show SMILES O=C(Nc1ccncc1)[C@H](Cc1csc2ccccc12)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C23H25N3O2S/c27-22(16-6-2-1-3-7-16)26-20(23(28)25-18-10-12-24-13-11-18)14-17-15-29-21-9-5-4-8-19(17)21/h4-5,8-13,15-16,20H,1-3,6-7,14H2,(H,26,27)(H,24,25,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493567 (CHEMBL2431636) Show SMILES Fc1ccc2cc(ccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r| Show InChI InChI=1S/C27H21FN4O2/c28-21-8-7-17-13-19(6-5-18(17)14-21)26(33)32-25(27(34)31-22-9-11-29-12-10-22)15-20-16-30-24-4-2-1-3-23(20)24/h1-14,16,25,30H,15H2,(H,32,33)(H,29,31,34)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493568 (CHEMBL2431533) Show SMILES Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)-c1cccc(c1)C#N |r| Show InChI InChI=1S/C30H22FN5O2/c31-26-15-21(20-5-3-4-19(14-20)17-32)8-9-25(26)29(37)36-28(30(38)35-23-10-12-33-13-11-23)16-22-18-34-27-7-2-1-6-24(22)27/h1-15,18,28,34H,16H2,(H,36,37)(H,33,35,38)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493569 (CHEMBL2431624) Show SMILES Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)-c1ccccc1Cl |r| Show InChI InChI=1S/C29H22ClFN4O2/c30-24-7-3-1-5-21(24)18-9-10-23(25(31)15-18)28(36)35-27(29(37)34-20-11-13-32-14-12-20)16-19-17-33-26-8-4-2-6-22(19)26/h1-15,17,27,33H,16H2,(H,35,36)(H,32,34,37)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (Trypanosoma cruzi)	BDBM50493570 (CHEMBL2431536) Show SMILES Nc1ccc(cc1)-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r| Show InChI InChI=1S/C29H24FN5O2/c30-25-15-19(18-5-8-21(31)9-6-18)7-10-24(25)28(36)35-27(29(37)34-22-11-13-32-14-12-22)16-20-17-33-26-4-2-1-3-23(20)26/h1-15,17,27,33H,16,31H2,(H,35,36)(H,32,34,37)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair

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