Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'ghodsi' and Initial = 'r'   

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
Aromatase (Homo sapiens (Human))	BDBM50442322 (CHEMBL2442760) Show SMILES CCn1ccc2c1ccc1nc(cc(Cn3ccnc3)c21)-c1ccccc1 Show InChI InChI=1S/C23H20N4/c1-2-27-12-10-19-22(27)9-8-20-23(19)18(15-26-13-11-24-16-26)14-21(25-20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM13061 (4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...) Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1 Show InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50442326 (CHEMBL2442758) Show SMILES CCn1ccc2c1ccc1c(Cn3ccnc3)cc(nc21)-c1ccccc1 Show InChI InChI=1S/C23H20N4/c1-2-27-12-10-20-22(27)9-8-19-18(15-26-13-11-24-16-26)14-21(25-23(19)20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50442323 (CHEMBL2442759) Show SMILES Cc1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1 Show InChI InChI=1S/C16H14N4/c1-11-8-12(9-20-7-6-17-10-20)13-2-3-15-14(4-5-18-15)16(13)19-11/h2-8,10,18H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50442325 (CHEMBL2442756) Show SMILES C(c1cc(nc2c3cc[nH]c3ccc12)-c1ccccc1)n1ccnc1 Show InChI InChI=1S/C21H16N4/c1-2-4-15(5-3-1)20-12-16(13-25-11-10-22-14-25)17-6-7-19-18(8-9-23-19)21(17)24-20/h1-12,14,23H,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50442320 (CHEMBL2442762) Show SMILES CCn1ccc2c1ccc1nc(cc(Cn3cncn3)c21)-c1ccccc1 Show InChI InChI=1S/C22H19N5/c1-2-26-11-10-18-21(26)9-8-19-22(18)17(13-27-15-23-14-24-27)12-20(25-19)16-6-4-3-5-7-16/h3-12,14-15H,2,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50300865 (7,8,9,10-Tetrahydro-2-(4-(methylsulfonyl)phenyl)be...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccc3CCCCc3c2n1 Show InChI InChI=1S/C21H19NO4S/c1-27(25,26)15-9-6-14(7-10-15)19-12-18(21(23)24)17-11-8-13-4-2-3-5-16(13)20(17)22-19/h6-12H,2-5H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University (M.C) Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay				Bioorg Med Chem 17: 5312-7 (2009) Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50300866 (2-(4-(Methylsulfonyl)phenyl)benzo[h]quinoline-4-ca...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccc3ccccc3c2n1 Show InChI InChI=1S/C21H15NO4S/c1-27(25,26)15-9-6-14(7-10-15)19-12-18(21(23)24)17-11-8-13-4-2-3-5-16(13)20(17)22-19/h2-12H,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University (M.C) Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay				Bioorg Med Chem 17: 5312-7 (2009) Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Ovis aries)	BDBM50326830 (2-(4-azido)phenyl)-8-benzoyl-quinoline-4-carboxyli...) Show SMILES OC(=O)c1cc(nc2c(cccc12)C(=O)c1ccccc1)-c1ccc(cc1)N=[N+]=[N-] Show InChI InChI=1S/C23H14N4O3/c24-27-26-16-11-9-14(10-12-16)20-13-19(23(29)30)17-7-4-8-18(21(17)25-20)22(28)15-5-2-1-3-6-15/h1-13H,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of sheep COX2				Bioorg Med Chem 18: 5855-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.094 BindingDB Entry DOI: 10.7270/Q23J3D6V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University MC Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme chemiluminescent enzyme assay				Bioorg Med Chem 18: 1029-33 (2010) Article DOI: 10.1016/j.bmc.2009.12.060 BindingDB Entry DOI: 10.7270/Q2V40V94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University (M.C) Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay				Bioorg Med Chem 17: 5312-7 (2009) Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome c oxidase subunit 2 (Ovis aries)	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of sheep COX2				Bioorg Med Chem 18: 5855-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.094 BindingDB Entry DOI: 10.7270/Q23J3D6V
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Ovis aries)	BDBM50326828 (8-benzoyl-2-(4-(methylsulfonyl)phenyl)quinoline-4-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2cccc(C(=O)c3ccccc3)c2n1 Show InChI InChI=1S/C24H17NO5S/c1-31(29,30)17-12-10-15(11-13-17)21-14-20(24(27)28)18-8-5-9-19(22(18)25-21)23(26)16-6-3-2-4-7-16/h2-14H,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of sheep COX2				Bioorg Med Chem 18: 5855-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.094 BindingDB Entry DOI: 10.7270/Q23J3D6V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50306357 (2-(4-(methylsulfonyl)phenyl)-3-phenylquinoline-4-c...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2c(C(O)=O)c1-c1ccccc1 Show InChI InChI=1S/C23H17NO4S/c1-29(27,28)17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21(23(25)26)18-9-5-6-10-19(18)24-22/h2-14H,1H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University MC Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme chemiluminescent enzyme assay				Bioorg Med Chem 18: 1029-33 (2010) Article DOI: 10.1016/j.bmc.2009.12.060 BindingDB Entry DOI: 10.7270/Q2V40V94
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50300867 (2-(4-(Methylsulfonyl)phenyl)-8-phenyl-quinoline-4-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2cccc(-c3ccccc3)c2n1 Show InChI InChI=1S/C23H17NO4S/c1-29(27,28)17-12-10-16(11-13-17)21-14-20(23(25)26)19-9-5-8-18(22(19)24-21)15-6-3-2-4-7-15/h2-14H,1H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University (M.C) Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay				Bioorg Med Chem 17: 5312-7 (2009) Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50300868 (7,8-Dimethyl-2-(4-(methylsulfonyl)phenyl)quinoline...) Show SMILES Cc1ccc2c(cc(nc2c1C)-c1ccc(cc1)S(C)(=O)=O)C(O)=O Show InChI InChI=1S/C19H17NO4S/c1-11-4-9-15-16(19(21)22)10-17(20-18(15)12(11)2)13-5-7-14(8-6-13)25(3,23)24/h4-10H,1-3H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University (M.C) Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay				Bioorg Med Chem 17: 5312-7 (2009) Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50442323 (CHEMBL2442759) Show SMILES Cc1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1 Show InChI InChI=1S/C16H14N4/c1-11-8-12(9-20-7-6-17-10-20)13-2-3-15-14(4-5-18-15)16(13)19-11/h2-8,10,18H,9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Ovis aries)	BDBM50326831 (2-(4-azido)phenyl)-6-benzoyl-quinoline-4-carboxyli...) Show SMILES OC(=O)c1cc(nc2ccc(cc12)C(=O)c1ccccc1)-c1ccc(cc1)N=[N+]=[N-] Show InChI InChI=1S/C23H14N4O3/c24-27-26-17-9-6-14(7-10-17)21-13-19(23(29)30)18-12-16(8-11-20(18)25-21)22(28)15-4-2-1-3-5-15/h1-13H,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of sheep COX2				Bioorg Med Chem 18: 5855-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.094 BindingDB Entry DOI: 10.7270/Q23J3D6V
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Ovis aries)	BDBM50326829 (6-benzoyl-2-(4-(methylsulfonyl)phenyl)quinoline-4-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2cc(ccc2n1)C(=O)c1ccccc1 Show InChI InChI=1S/C24H17NO5S/c1-31(29,30)18-10-7-15(8-11-18)22-14-20(24(27)28)19-13-17(9-12-21(19)25-22)23(26)16-5-3-2-4-6-16/h2-14H,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of sheep COX2				Bioorg Med Chem 18: 5855-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.094 BindingDB Entry DOI: 10.7270/Q23J3D6V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50306356 (4-amino-2-(4-(methylsulfonyl)phenyl)-3-phenylquino...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2c(N)c1-c1ccccc1 Show InChI InChI=1S/C22H18N2O2S/c1-27(25,26)17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21(23)18-9-5-6-10-19(18)24-22/h2-14H,1H3,(H2,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University MC Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme chemiluminescent enzyme assay				Bioorg Med Chem 18: 1029-33 (2010) Article DOI: 10.1016/j.bmc.2009.12.060 BindingDB Entry DOI: 10.7270/Q2V40V94
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Ovis aries)	BDBM50326826 (2-(4-acetamido)phenyl)-8-benzoyl-quinoline-4-carbo...) Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(C(O)=O)c2cccc(C(=O)c3ccccc3)c2n1 Show InChI InChI=1S/C25H18N2O4/c1-15(28)26-18-12-10-16(11-13-18)22-14-21(25(30)31)19-8-5-9-20(23(19)27-22)24(29)17-6-3-2-4-7-17/h2-14H,1H3,(H,26,28)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of sheep COX2				Bioorg Med Chem 18: 5855-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.094 BindingDB Entry DOI: 10.7270/Q23J3D6V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50300864 (5-methoxy-2-(4-(methylsulfonyl)phenyl)-1H-indole |...) Show SMILES COc1ccc2[nH]c(cc2c1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H15NO3S/c1-20-13-5-8-15-12(9-13)10-16(17-15)11-3-6-14(7-4-11)21(2,18)19/h3-10,17H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University (M.C) Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay				Bioorg Med Chem 17: 5312-7 (2009) Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Ovis aries)	BDBM50326827 (2-(4-acetamido)phenyl)-6-benzoyl-quinoline-4-carbo...) Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(C(O)=O)c2cc(ccc2n1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H18N2O4/c1-15(28)26-19-10-7-16(8-11-19)23-14-21(25(30)31)20-13-18(9-12-22(20)27-23)24(29)17-5-3-2-4-6-17/h2-14H,1H3,(H,26,28)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of sheep COX2				Bioorg Med Chem 18: 5855-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.094 BindingDB Entry DOI: 10.7270/Q23J3D6V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50300869 (8-Methyl-2-(4-(methylsulfonyl)phenyl)quinoline-4-c...) Show SMILES Cc1cccc2c(cc(nc12)-c1ccc(cc1)S(C)(=O)=O)C(O)=O Show InChI InChI=1S/C18H15NO4S/c1-11-4-3-5-14-15(18(20)21)10-16(19-17(11)14)12-6-8-13(9-7-12)24(2,22)23/h3-10H,1-2H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University (M.C) Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay				Bioorg Med Chem 17: 5312-7 (2009) Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Ovis aries)	BDBM50300870 (2-(4-(methylsulfonyl)phenyl)-quinoline-4-carboxyli...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccccc2n1 Show InChI InChI=1S/C17H13NO4S/c1-23(21,22)12-8-6-11(7-9-12)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of sheep COX2				Bioorg Med Chem 18: 5855-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.094 BindingDB Entry DOI: 10.7270/Q23J3D6V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50300870 (2-(4-(methylsulfonyl)phenyl)-quinoline-4-carboxyli...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccccc2n1 Show InChI InChI=1S/C17H13NO4S/c1-23(21,22)12-8-6-11(7-9-12)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University (M.C) Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by chemiluminescent enzyme assay				Bioorg Med Chem 17: 5312-7 (2009) Article DOI: 10.1016/j.bmc.2009.05.084 BindingDB Entry DOI: 10.7270/Q2NS0TZX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50306353 (2-(4-(methylsulfonyl)phenyl)-3-phenylquinoline | C...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2cc1-c1ccccc1 Show InChI InChI=1S/C22H17NO2S/c1-26(24,25)19-13-11-17(12-14-19)22-20(16-7-3-2-4-8-16)15-18-9-5-6-10-21(18)23-22/h2-15H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University MC Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme chemiluminescent enzyme assay				Bioorg Med Chem 18: 1029-33 (2010) Article DOI: 10.1016/j.bmc.2009.12.060 BindingDB Entry DOI: 10.7270/Q2V40V94
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50306354 (4-methyl-2-(4-methylsulfonyl)phenyl)-3-phenylquino...) Show SMILES Cc1c(-c2ccccc2)c(nc2ccccc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H19NO2S/c1-16-20-10-6-7-11-21(20)24-23(22(16)17-8-4-3-5-9-17)18-12-14-19(15-13-18)27(2,25)26/h3-15H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University MC Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme chemiluminescent enzyme assay				Bioorg Med Chem 18: 1029-33 (2010) Article DOI: 10.1016/j.bmc.2009.12.060 BindingDB Entry DOI: 10.7270/Q2V40V94
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50306355 (3,4-diphenyl-2-(4-methylsulfonyl)phenyl)-quinoline...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2c(-c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C28H21NO2S/c1-32(30,31)23-18-16-22(17-19-23)28-27(21-12-6-3-7-13-21)26(20-10-4-2-5-11-20)24-14-8-9-15-25(24)29-28/h2-19H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University MC Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme chemiluminescent enzyme assay				Bioorg Med Chem 18: 1029-33 (2010) Article DOI: 10.1016/j.bmc.2009.12.060 BindingDB Entry DOI: 10.7270/Q2V40V94
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50442325 (CHEMBL2442756) Show SMILES C(c1cc(nc2c3cc[nH]c3ccc12)-c1ccccc1)n1ccnc1 Show InChI InChI=1S/C21H16N4/c1-2-4-15(5-3-1)20-12-16(13-25-11-10-22-14-25)17-6-7-19-18(8-9-23-19)21(17)24-20/h1-12,14,23H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50442326 (CHEMBL2442758) Show SMILES CCn1ccc2c1ccc1c(Cn3ccnc3)cc(nc21)-c1ccccc1 Show InChI InChI=1S/C23H20N4/c1-2-27-12-10-20-22(27)9-8-19-18(15-26-13-11-24-16-26)14-21(25-23(19)20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50464816 (CHEMBL4285001) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2ccc(OCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)nc2)cc1 Show InChI InChI=1S/C31H28N6O9S/c32-25-8-4-5-9-26(25)35-28(38)23-13-10-21(11-14-23)18-34-31(39)45-20-22-12-15-27(33-19-22)43-16-17-44-29-30(37(40)46-36-29)47(41,42)24-6-2-1-3-7-24/h1-15,19H,16-18,20,32H2,(H,34,39)(H,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113934 BindingDB Entry DOI: 10.7270/Q2QV3RJ5
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50597696 (CHEMBL4300553) Show SMILES CN(CCCCC(CO[N+]([O-])=O)O[N+]([O-])=O)Cc1ccc(COC(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)cn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113934 BindingDB Entry DOI: 10.7270/Q2QV3RJ5
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using deacetylase fluorogenic substrate pretreated for 5 mins followed by substrate addition after 30 mins by fl...				Eur J Med Chem 132: 42-62 (2017) Article DOI: 10.1016/j.ejmech.2017.03.024 BindingDB Entry DOI: 10.7270/Q2NC63MW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50442324 (CHEMBL2442757) Show SMILES COc1ccc(cc1)-c1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1 Show InChI InChI=1S/C22H18N4O/c1-27-17-4-2-15(3-5-17)21-12-16(13-26-11-10-23-14-26)18-6-7-20-19(8-9-24-20)22(18)25-21/h2-12,14,24H,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	454	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248809 (CHEMBL4078308) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2cc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3oc2=O)cc1 Show InChI InChI=1S/C31H23Cl2N3O5/c32-24-12-7-19(13-25(24)33)17-40-22-11-10-21-14-23(31(39)41-28(21)15-22)30(38)35-16-18-5-8-20(9-6-18)29(37)36-27-4-2-1-3-26(27)34/h1-15H,16-17,34H2,(H,35,38)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using deacetylase fluorogenic substrate pretreated for 5 mins followed by substrate addition after 30 mins by fl...				Eur J Med Chem 132: 42-62 (2017) Article DOI: 10.1016/j.ejmech.2017.03.024 BindingDB Entry DOI: 10.7270/Q2NC63MW
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50442326 (CHEMBL2442758) Show SMILES CCn1ccc2c1ccc1c(Cn3ccnc3)cc(nc21)-c1ccccc1 Show InChI InChI=1S/C23H20N4/c1-2-27-12-10-20-22(27)9-8-19-18(15-26-13-11-24-16-26)14-21(25-23(19)20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli using progesterone as substrate NADPH as cofactor				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248808 (CHEMBL4069655) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2cc3ccc(OCc4ccc(Br)cc4)cc3oc2=O)cc1 Show InChI InChI=1S/C31H24BrN3O5/c32-23-12-7-20(8-13-23)18-39-24-14-11-22-15-25(31(38)40-28(22)16-24)30(37)34-17-19-5-9-21(10-6-19)29(36)35-27-4-2-1-3-26(27)33/h1-16H,17-18,33H2,(H,34,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using deacetylase fluorogenic substrate pretreated for 5 mins followed by substrate addition after 30 mins by fl...				Eur J Med Chem 132: 42-62 (2017) Article DOI: 10.1016/j.ejmech.2017.03.024 BindingDB Entry DOI: 10.7270/Q2NC63MW
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50442324 (CHEMBL2442757) Show SMILES COc1ccc(cc1)-c1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1 Show InChI InChI=1S/C22H18N4O/c1-27-17-4-2-15(3-5-17)21-12-16(13-26-11-10-23-14-26)18-6-7-20-19(8-9-24-20)22(18)25-21/h2-12,14,24H,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli using progesterone as substrate NADPH as cofactor				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50442316 (CHEMBL2442766) Show SMILES COc1cccc(c1)C1=CC(=O)c2ccc3N=CC=c3c2=N1 |c:17,19,23,t:9| Show InChI InChI=1S/C18H12N2O2/c1-22-12-4-2-3-11(9-12)16-10-17(21)14-5-6-15-13(7-8-19-15)18(14)20-16/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248810 (CHEMBL4102954) Show SMILES COc1ccc(COc2ccc3cc(C(=O)NCc4ccc(cc4)C(=O)Nc4ccccc4N)c(=O)oc3c2)cc1 Show InChI InChI=1S/C32H27N3O6/c1-39-24-13-8-21(9-14-24)19-40-25-15-12-23-16-26(32(38)41-29(23)17-25)31(37)34-18-20-6-10-22(11-7-20)30(36)35-28-5-3-2-4-27(28)33/h2-17H,18-19,33H2,1H3,(H,34,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using deacetylase fluorogenic substrate pretreated for 5 mins followed by substrate addition after 30 mins by fl...				Eur J Med Chem 132: 42-62 (2017) Article DOI: 10.1016/j.ejmech.2017.03.024 BindingDB Entry DOI: 10.7270/Q2NC63MW
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113934 BindingDB Entry DOI: 10.7270/Q2QV3RJ5
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248807 (CHEMBL4087376) Show SMILES CCCOc1ccc2cc(C(=O)NCc3ccc(cc3)C(=O)Nc3ccccc3N)c(=O)oc2c1 Show InChI InChI=1S/C27H25N3O5/c1-2-13-34-20-12-11-19-14-21(27(33)35-24(19)15-20)26(32)29-16-17-7-9-18(10-8-17)25(31)30-23-6-4-3-5-22(23)28/h3-12,14-15H,2,13,16,28H2,1H3,(H,29,32)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using deacetylase fluorogenic substrate pretreated for 5 mins followed by substrate addition after 30 mins by fl...				Eur J Med Chem 132: 42-62 (2017) Article DOI: 10.1016/j.ejmech.2017.03.024 BindingDB Entry DOI: 10.7270/Q2NC63MW
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50442325 (CHEMBL2442756) Show SMILES C(c1cc(nc2c3cc[nH]c3ccc12)-c1ccccc1)n1ccnc1 Show InChI InChI=1S/C21H16N4/c1-2-4-15(5-3-1)20-12-16(13-25-11-10-22-14-25)17-6-7-19-18(8-9-23-19)21(17)24-20/h1-12,14,23H,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli using progesterone as substrate NADPH as cofactor				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50442330 (CHEMBL2440145) Show SMILES COc1ccc(cc1)-c1cc(CO)c2ccc3[nH]ccc3c2n1 Show InChI InChI=1S/C19H16N2O2/c1-23-14-4-2-12(3-5-14)18-10-13(11-22)15-6-7-17-16(8-9-20-17)19(15)21-18/h2-10,20,22H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	922	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50442324 (CHEMBL2442757) Show SMILES COc1ccc(cc1)-c1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1 Show InChI InChI=1S/C22H18N4O/c1-27-17-4-2-15(3-5-17)21-12-16(13-26-11-10-23-14-26)18-6-7-20-19(8-9-24-20)22(18)25-21/h2-12,14,24H,13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50442322 (CHEMBL2442760) Show SMILES CCn1ccc2c1ccc1nc(cc(Cn3ccnc3)c21)-c1ccccc1 Show InChI InChI=1S/C23H20N4/c1-2-27-12-10-19-22(27)9-8-20-23(19)18(15-26-13-11-24-16-26)14-21(25-20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50464816 (CHEMBL4285001) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2ccc(OCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)nc2)cc1 Show InChI InChI=1S/C31H28N6O9S/c32-25-8-4-5-9-26(25)35-28(38)23-13-10-21(11-14-23)18-34-31(39)45-20-22-12-15-27(33-19-22)43-16-17-44-29-30(37(40)46-36-29)47(41,42)24-6-2-1-3-7-24/h1-15,19H,16-18,20,32H2,(H,34,39)(H,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113934 BindingDB Entry DOI: 10.7270/Q2QV3RJ5
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50597696 (CHEMBL4300553) Show SMILES CN(CCCCC(CO[N+]([O-])=O)O[N+]([O-])=O)Cc1ccc(COC(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)cn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113934 BindingDB Entry DOI: 10.7270/Q2QV3RJ5
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113934 BindingDB Entry DOI: 10.7270/Q2QV3RJ5
					More data for this Ligand-Target Pair

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