Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'berlin' and Initial = 'kd'   

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
Dihydrofolate reductase (Staphylococcus aureus)	BDBM50335530 ((S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...) Show SMILES CCC[C@@H]1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |r,c:5| Show InChI InChI=1S/C27H30N6O3/c1-4-7-22-21-9-6-5-8-19(21)16-31-33(22)24(34)11-10-18-12-17(14-23(35-2)25(18)36-3)13-20-15-30-27(29)32-26(20)28/h5-6,8-12,14-16,22H,4,7,13H2,1-3H3,(H4,28,29,30,32)/b11-10+/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM50294211 (3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-3-hydroxy...) Show SMILES CCCC1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(O)c1OC |c:5| Show InChI InChI=1S/C26H28N6O3/c1-3-6-21-20-8-5-4-7-18(20)15-30-32(21)23(34)10-9-17-11-16(13-22(33)24(17)35-2)12-19-14-29-26(28)31-25(19)27/h4-5,7-11,13-15,21,33H,3,6,12H2,1-2H3,(H4,27,28,29,31)/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM50336512 ((R)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...) Show SMILES COc1ncc(cn1)[C@@H]1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |r,c:11| Show InChI InChI=1S/C29H28N8O4/c1-39-23-12-17(11-20-13-32-28(31)36-27(20)30)10-18(26(23)40-2)8-9-24(38)37-25(21-14-33-29(41-3)34-15-21)22-7-5-4-6-19(22)16-35-37/h4-10,12-16,25H,11H2,1-3H3,(H4,30,31,32,36)/b9-8+/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM18070 (5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...) Show SMILES COc1cc(Cc2cnc(N)nc2N)c2C=CC(Oc2c1OC)C1CC1 |c:16| Show InChI InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM18070 (5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...) Show SMILES COc1cc(Cc2cnc(N)nc2N)c2C=CC(Oc2c1OC)C1CC1 |c:16| Show InChI InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM50336514 ((S)-Iclaprim | CHEMBL1673303) Show SMILES COc1cc(Cc2cnc(N)nc2N)c2C=C[C@@H](Oc2c1OC)C1CC1 |r,c:16| Show InChI InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM50336513 ((R)-Iclaprim | 5-[[(2R)-2-cyclopropyl-7,8-dimethox...) Show SMILES COc1cc(Cc2cnc(N)nc2N)c2C=C[C@H](Oc2c1OC)C1CC1 |r,c:16| Show InChI InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM50335530 ((S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...) Show SMILES CCC[C@@H]1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |r,c:5| Show InChI InChI=1S/C27H30N6O3/c1-4-7-22-21-9-6-5-8-19(21)16-31-33(22)24(34)11-10-18-12-17(14-23(35-2)25(18)36-3)13-20-15-30-27(29)32-26(20)28/h5-6,8-12,14-16,22H,4,7,13H2,1-3H3,(H4,28,29,30,32)/b11-10+/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM50335530 ((S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...) Show SMILES CCC[C@@H]1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |r,c:5| Show InChI InChI=1S/C27H30N6O3/c1-4-7-22-21-9-6-5-8-19(21)16-31-33(22)24(34)11-10-18-12-17(14-23(35-2)25(18)36-3)13-20-15-30-27(29)32-26(20)28/h5-6,8-12,14-16,22H,4,7,13H2,1-3H3,(H4,28,29,30,32)/b11-10+/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM50294211 (3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-3-hydroxy...) Show SMILES CCCC1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(O)c1OC |c:5| Show InChI InChI=1S/C26H28N6O3/c1-3-6-21-20-8-5-4-7-18(20)15-30-32(21)23(34)10-9-17-11-16(13-22(33)24(17)35-2)12-19-14-29-26(28)31-25(19)27/h4-5,7-11,13-15,21,33H,3,6,12H2,1-2H3,(H4,27,28,29,31)/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM50294211 (3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-3-hydroxy...) Show SMILES CCCC1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(O)c1OC |c:5| Show InChI InChI=1S/C26H28N6O3/c1-3-6-21-20-8-5-4-7-18(20)15-30-32(21)23(34)10-9-17-11-16(13-22(33)24(17)35-2)12-19-14-29-26(28)31-25(19)27/h4-5,7-11,13-15,21,33H,3,6,12H2,1-2H3,(H4,27,28,29,31)/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM50336512 ((R)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...) Show SMILES COc1ncc(cn1)[C@@H]1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |r,c:11| Show InChI InChI=1S/C29H28N8O4/c1-39-23-12-17(11-20-13-32-28(31)36-27(20)30)10-18(26(23)40-2)8-9-24(38)37-25(21-14-33-29(41-3)34-15-21)22-7-5-4-6-19(22)16-35-37/h4-10,12-16,25H,11H2,1-3H3,(H4,30,31,32,36)/b9-8+/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM50336512 ((R)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...) Show SMILES COc1ncc(cn1)[C@@H]1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |r,c:11| Show InChI InChI=1S/C29H28N8O4/c1-39-23-12-17(11-20-13-32-28(31)36-27(20)30)10-18(26(23)40-2)8-9-24(38)37-25(21-14-33-29(41-3)34-15-21)22-7-5-4-6-19(22)16-35-37/h4-10,12-16,25H,11H2,1-3H3,(H4,30,31,32,36)/b9-8+/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	14.4	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Bacillus anthracis)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHFR				Antimicrob Agents Chemother 53: 3065-73 (2009) Article DOI: 10.1128/AAC.01666-08 BindingDB Entry DOI: 10.7270/Q2J67HXM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Bacillus anthracis)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHFR				Antimicrob Agents Chemother 53: 3065-73 (2009) Article DOI: 10.1128/AAC.01666-08 BindingDB Entry DOI: 10.7270/Q2J67HXM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Bacillus anthracis)	BDBM50335531 (1-propyl-2-acryloyl-1,2-dihydrophthalazine | CHEMB...) Show SMILES CCCC1N(N=Cc2ccccc12)C(=O)C=C |c:5| Show InChI InChI=1S/C14H16N2O/c1-3-7-13-12-9-6-5-8-11(12)10-15-16(13)14(17)4-2/h4-6,8-10,13H,2-3,7H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHFR				Antimicrob Agents Chemother 53: 3065-73 (2009) Article DOI: 10.1128/AAC.01666-08 BindingDB Entry DOI: 10.7270/Q2J67HXM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bacillus anthracis)	BDBM50335530 ((S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...) Show SMILES CCC[C@@H]1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |r,c:5| Show InChI InChI=1S/C27H30N6O3/c1-4-7-22-21-9-6-5-8-19(21)16-31-33(22)24(34)11-10-18-12-17(14-23(35-2)25(18)36-3)13-20-15-30-27(29)32-26(20)28/h5-6,8-12,14-16,22H,4,7,13H2,1-3H3,(H4,28,29,30,32)/b11-10+/t22-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHFR				Antimicrob Agents Chemother 53: 3065-73 (2009) Article DOI: 10.1128/AAC.01666-08 BindingDB Entry DOI: 10.7270/Q2J67HXM
					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM50298821 ((S)-5-(3-(2-methoxy-2',6'-dimethylbiphenyl-4-yl)bu...) Show SMILES COc1cc(ccc1-c1c(C)cccc1C)[C@H](C)C#Cc1c(C)nc(N)nc1N |r,wU:16.18,(1.34,-3.46,;2.67,-2.68,;2.66,-1.15,;1.33,-.38,;1.32,1.16,;2.64,1.94,;3.98,1.18,;4,-.37,;5.33,-1.13,;6.65,-.35,;6.63,1.19,;7.99,-1.1,;8,-2.65,;6.67,-3.43,;5.33,-2.67,;4,-3.44,;-.01,1.92,;-.02,3.46,;-1.34,1.14,;-2.67,.36,;-4,-.41,;-4,-1.96,;-2.66,-2.73,;-5.33,-2.73,;-6.67,-1.96,;-8,-2.73,;-6.67,-.42,;-5.34,.35,;-5.34,1.89,)| Show InChI InChI=1S/C24H26N4O/c1-14(9-11-19-17(4)27-24(26)28-23(19)25)18-10-12-20(21(13-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,10,12-14H,1-5H3,(H4,25,26,27,28)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM25826 (5-[(3R)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...) Show SMILES COc1cc(cc(c1)-c1ccccc1)[C@@H](C)C#Cc1c(C)nc(N)nc1N |r| Show InChI InChI=1S/C22H22N4O/c1-14(9-10-20-15(2)25-22(24)26-21(20)23)17-11-18(13-19(12-17)27-3)16-7-5-4-6-8-16/h4-8,11-14H,1-3H3,(H4,23,24,25,26)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Bacillus anthracis)	BDBM50335532 ((E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...) Show SMILES CC[C@@H]1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |r,c:4| Show InChI InChI=1S/C26H28N6O3/c1-4-21-20-8-6-5-7-18(20)15-30-32(21)23(33)10-9-17-11-16(13-22(34-2)24(17)35-3)12-19-14-29-26(28)31-25(19)27/h5-11,13-15,21H,4,12H2,1-3H3,(H4,27,28,29,31)/b10-9+/t21-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHFR				Antimicrob Agents Chemother 53: 3065-73 (2009) Article DOI: 10.1128/AAC.01666-08 BindingDB Entry DOI: 10.7270/Q2J67HXM
					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Bacillus anthracis)	BDBM50335533 ((E)-1-(1-butylphthalazin-2(1H)-yl)-3-(5-((2,4-diam...) Show SMILES CCCC[C@@H]1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |r,c:6| Show InChI InChI=1S/C28H32N6O3/c1-4-5-10-23-22-9-7-6-8-20(22)17-32-34(23)25(35)12-11-19-13-18(15-24(36-2)26(19)37-3)14-21-16-31-28(30)33-27(21)29/h6-9,11-13,15-17,23H,4-5,10,14H2,1-3H3,(H4,29,30,31,33)/b12-11+/t23-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHFR				Antimicrob Agents Chemother 53: 3065-73 (2009) Article DOI: 10.1128/AAC.01666-08 BindingDB Entry DOI: 10.7270/Q2J67HXM
					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Bacillus anthracis)	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHFR				Antimicrob Agents Chemother 53: 3065-73 (2009) Article DOI: 10.1128/AAC.01666-08 BindingDB Entry DOI: 10.7270/Q2J67HXM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Bacillus anthracis)	BDBM50095890 (2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...) Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHFR				Antimicrob Agents Chemother 53: 3065-73 (2009) Article DOI: 10.1128/AAC.01666-08 BindingDB Entry DOI: 10.7270/Q2J67HXM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50335530 ((S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...) Show SMILES CCC[C@@H]1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |r,c:5| Show InChI InChI=1S/C27H30N6O3/c1-4-7-22-21-9-6-5-8-19(21)16-31-33(22)24(34)11-10-18-12-17(14-23(35-2)25(18)36-3)13-20-15-30-27(29)32-26(20)28/h5-6,8-12,14-16,22H,4,7,13H2,1-3H3,(H4,28,29,30,32)/b11-10+/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of human DHFR				Antimicrob Agents Chemother 53: 3065-73 (2009) Article DOI: 10.1128/AAC.01666-08 BindingDB Entry DOI: 10.7270/Q2J67HXM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50294211 (3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-3-hydroxy...) Show SMILES CCCC1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(O)c1OC |c:5| Show InChI InChI=1S/C26H28N6O3/c1-3-6-21-20-8-5-4-7-18(20)15-30-32(21)23(34)10-9-17-11-16(13-22(33)24(17)35-2)12-19-14-29-26(28)31-25(19)27/h4-5,7-11,13-15,21,33H,3,6,12H2,1-2H3,(H4,27,28,29,31)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of human DHFR				Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50066900 ((2E,4E,6E)-7-(4,4-Dimethyl-thiochroman-6-yl)-3-met...) Show SMILES C\C(\C=C\C=C(/C)c1ccc2SCCC(C)(C)c2c1)=C/C(O)=O Show InChI InChI=1S/C20H24O2S/c1-14(12-19(21)22)6-5-7-15(2)16-8-9-18-17(13-16)20(3,4)10-11-23-18/h5-9,12-13H,10-11H2,1-4H3,(H,21,22)/b6-5+,14-12+,15-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-alpha receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50066899 ((2E,4E,6E)-7-(4,4-Dimethyl-chroman-6-yl)-3-methyl-...) Show SMILES C\C(\C=C\C=C(/C)c1ccc2OCCC(C)(C)c2c1)=C/C(O)=O Show InChI InChI=1S/C20H24O3/c1-14(12-19(21)22)6-5-7-15(2)16-8-9-18-17(13-16)20(3,4)10-11-23-18/h5-9,12-13H,10-11H2,1-4H3,(H,21,22)/b6-5+,14-12+,15-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	39	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-gamma receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50066898 (4-[(E)-2-(3,3-Dimethyl-2,3-dihydro-benzofuran-5-yl...) Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2OCC(C)(C)c2c1 Show InChI InChI=1S/C20H20O3/c1-13(10-14-4-6-15(7-5-14)19(21)22)16-8-9-18-17(11-16)20(2,3)12-23-18/h4-11H,12H2,1-3H3,(H,21,22)/b13-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-alpha receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50066901 ((2E,4E,6E)-7-(3,3-Dimethyl-2,3-dihydro-benzo[b]thi...) Show SMILES C\C(\C=C\C=C(/C)c1ccc2SCC(C)(C)c2c1)=C/C(O)=O Show InChI InChI=1S/C19H22O2S/c1-13(10-18(20)21)6-5-7-14(2)15-8-9-17-16(11-15)19(3,4)12-22-17/h5-11H,12H2,1-4H3,(H,20,21)/b6-5+,13-10+,14-7+	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	n/a	n/a	8	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-gamma receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50066898 (4-[(E)-2-(3,3-Dimethyl-2,3-dihydro-benzofuran-5-yl...) Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2OCC(C)(C)c2c1 Show InChI InChI=1S/C20H20O3/c1-13(10-14-4-6-15(7-5-14)19(21)22)16-8-9-18-17(11-16)20(2,3)12-23-18/h4-11H,12H2,1-3H3,(H,21,22)/b13-10+	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	n/a	n/a	320	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-beta receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50066902 ((2E,4E,6E)-7-(3,3-Dimethyl-2,3-dihydro-benzofuran-...) Show SMILES C\C(\C=C\C=C(/C)c1ccc2OCC(C)(C)c2c1)=C/C(O)=O Show InChI InChI=1S/C19H22O3/c1-13(10-18(20)21)6-5-7-14(2)15-8-9-17-16(11-15)19(3,4)12-22-17/h5-11H,12H2,1-4H3,(H,20,21)/b6-5+,13-10+,14-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-alpha receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50066901 ((2E,4E,6E)-7-(3,3-Dimethyl-2,3-dihydro-benzo[b]thi...) Show SMILES C\C(\C=C\C=C(/C)c1ccc2SCC(C)(C)c2c1)=C/C(O)=O Show InChI InChI=1S/C19H22O2S/c1-13(10-18(20)21)6-5-7-14(2)15-8-9-17-16(11-15)19(3,4)12-22-17/h5-11H,12H2,1-4H3,(H,20,21)/b6-5+,13-10+,14-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-alpha receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50066903 (4-[(E)-2-(3,3-Dimethyl-2,3-dihydro-benzofuran-5-yl...) Show SMILES COC(=O)c1ccc(\C=C(/C)c2ccc3OCC(C)(C)c3c2)cc1 Show InChI InChI=1S/C21H22O3/c1-14(11-15-5-7-16(8-6-15)20(22)23-4)17-9-10-19-18(12-17)21(2,3)13-24-19/h5-12H,13H2,1-4H3/b14-11+	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	n/a	n/a	400	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-gamma receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50066900 ((2E,4E,6E)-7-(4,4-Dimethyl-thiochroman-6-yl)-3-met...) Show SMILES C\C(\C=C\C=C(/C)c1ccc2SCCC(C)(C)c2c1)=C/C(O)=O Show InChI InChI=1S/C20H24O2S/c1-14(12-19(21)22)6-5-7-15(2)16-8-9-18-17(13-16)20(3,4)10-11-23-18/h5-9,12-13H,10-11H2,1-4H3,(H,21,22)/b6-5+,14-12+,15-7+	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	n/a	n/a	12	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-gamma receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50066902 ((2E,4E,6E)-7-(3,3-Dimethyl-2,3-dihydro-benzofuran-...) Show SMILES C\C(\C=C\C=C(/C)c1ccc2OCC(C)(C)c2c1)=C/C(O)=O Show InChI InChI=1S/C19H22O3/c1-13(10-18(20)21)6-5-7-14(2)15-8-9-17-16(11-15)19(3,4)12-22-17/h5-11H,12H2,1-4H3,(H,20,21)/b6-5+,13-10+,14-7+	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	n/a	n/a	230	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-gamma receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50066902 ((2E,4E,6E)-7-(3,3-Dimethyl-2,3-dihydro-benzofuran-...) Show SMILES C\C(\C=C\C=C(/C)c1ccc2OCC(C)(C)c2c1)=C/C(O)=O Show InChI InChI=1S/C19H22O3/c1-13(10-18(20)21)6-5-7-14(2)15-8-9-17-16(11-15)19(3,4)12-22-17/h5-11H,12H2,1-4H3,(H,20,21)/b6-5+,13-10+,14-7+	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	n/a	n/a	770	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-beta receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50066901 ((2E,4E,6E)-7-(3,3-Dimethyl-2,3-dihydro-benzo[b]thi...) Show SMILES C\C(\C=C\C=C(/C)c1ccc2SCC(C)(C)c2c1)=C/C(O)=O Show InChI InChI=1S/C19H22O2S/c1-13(10-18(20)21)6-5-7-14(2)15-8-9-17-16(11-15)19(3,4)12-22-17/h5-11H,12H2,1-4H3,(H,20,21)/b6-5+,13-10+,14-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-alpha receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50066902 ((2E,4E,6E)-7-(3,3-Dimethyl-2,3-dihydro-benzofuran-...) Show SMILES C\C(\C=C\C=C(/C)c1ccc2OCC(C)(C)c2c1)=C/C(O)=O Show InChI InChI=1S/C19H22O3/c1-13(10-18(20)21)6-5-7-14(2)15-8-9-17-16(11-15)19(3,4)12-22-17/h5-11H,12H2,1-4H3,(H,20,21)/b6-5+,13-10+,14-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-alpha receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50066904 (4-[(E)-2-(4,4-Dimethyl-chroman-6-yl)-propenyl]-ben...) Show SMILES COC(=O)c1ccc(\C=C(/C)c2ccc3OCCC(C)(C)c3c2)cc1 Show InChI InChI=1S/C22H24O3/c1-15(13-16-5-7-17(8-6-16)21(23)24-4)18-9-10-20-19(14-18)22(2,3)11-12-25-20/h5-10,13-14H,11-12H2,1-4H3/b15-13+	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	n/a	n/a	140	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-beta receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50066904 (4-[(E)-2-(4,4-Dimethyl-chroman-6-yl)-propenyl]-ben...) Show SMILES COC(=O)c1ccc(\C=C(/C)c2ccc3OCCC(C)(C)c3c2)cc1 Show InChI InChI=1S/C22H24O3/c1-15(13-16-5-7-17(8-6-16)21(23)24-4)18-9-10-20-19(14-18)22(2,3)11-12-25-20/h5-10,13-14H,11-12H2,1-4H3/b15-13+	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	n/a	n/a	330	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-gamma receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50066907 (4-[(E)-2-(3,3-Dimethyl-2,3-dihydro-benzo[b]thiophe...) Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2SCC(C)(C)c2c1 Show InChI InChI=1S/C20H20O2S/c1-13(10-14-4-6-15(7-5-14)19(21)22)16-8-9-18-17(11-16)20(2,3)12-23-18/h4-11H,12H2,1-3H3,(H,21,22)/b13-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	420	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-alpha receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50066905 (4-[(E)-2-(4,4-Dimethyl-chroman-6-yl)-propenyl]-ben...) Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2OCCC(C)(C)c2c1 Show InChI InChI=1S/C21H22O3/c1-14(12-15-4-6-16(7-5-15)20(22)23)17-8-9-19-18(13-17)21(2,3)10-11-24-19/h4-9,12-13H,10-11H2,1-3H3,(H,22,23)/b14-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-alpha receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50066906 (4-[(E)-2-(4,4-Dimethyl-thiochroman-6-yl)-propenyl]...) Show SMILES COC(=O)c1ccc(\C=C(/C)c2ccc3SCCC(C)(C)c3c2)cc1 Show InChI InChI=1S/C22H24O2S/c1-15(13-16-5-7-17(8-6-16)21(23)24-4)18-9-10-20-19(14-18)22(2,3)11-12-25-20/h5-10,13-14H,11-12H2,1-4H3/b15-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	620	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-alpha receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50066898 (4-[(E)-2-(3,3-Dimethyl-2,3-dihydro-benzofuran-5-yl...) Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2OCC(C)(C)c2c1 Show InChI InChI=1S/C20H20O3/c1-13(10-14-4-6-15(7-5-14)19(21)22)16-8-9-18-17(11-16)20(2,3)12-23-18/h4-11H,12H2,1-3H3,(H,21,22)/b13-10+	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	n/a	n/a	460	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-gamma receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50066904 (4-[(E)-2-(4,4-Dimethyl-chroman-6-yl)-propenyl]-ben...) Show SMILES COC(=O)c1ccc(\C=C(/C)c2ccc3OCCC(C)(C)c3c2)cc1 Show InChI InChI=1S/C22H24O3/c1-15(13-16-5-7-17(8-6-16)21(23)24-4)18-9-10-20-19(14-18)22(2,3)11-12-25-20/h5-10,13-14H,11-12H2,1-4H3/b15-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-alpha receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50066899 ((2E,4E,6E)-7-(4,4-Dimethyl-chroman-6-yl)-3-methyl-...) Show SMILES C\C(\C=C\C=C(/C)c1ccc2OCCC(C)(C)c2c1)=C/C(O)=O Show InChI InChI=1S/C20H24O3/c1-14(12-19(21)22)6-5-7-15(2)16-8-9-18-17(13-16)20(3,4)10-11-23-18/h5-9,12-13H,10-11H2,1-4H3,(H,21,22)/b6-5+,14-12+,15-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-alpha receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50066905 (4-[(E)-2-(4,4-Dimethyl-chroman-6-yl)-propenyl]-ben...) Show SMILES C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2OCCC(C)(C)c2c1 Show InChI InChI=1S/C21H22O3/c1-14(12-15-4-6-16(7-5-15)20(22)23)17-8-9-19-18(13-17)21(2,3)10-11-24-19/h4-9,12-13H,10-11H2,1-3H3,(H,22,23)/b14-12+	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	n/a	n/a	200	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-gamma receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50066899 ((2E,4E,6E)-7-(4,4-Dimethyl-chroman-6-yl)-3-methyl-...) Show SMILES C\C(\C=C\C=C(/C)c1ccc2OCCC(C)(C)c2c1)=C/C(O)=O Show InChI InChI=1S/C20H24O3/c1-14(12-19(21)22)6-5-7-15(2)16-8-9-18-17(13-16)20(3,4)10-11-23-18/h5-9,12-13H,10-11H2,1-4H3,(H,21,22)/b6-5+,14-12+,15-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	72	n/a	n/a	n/a	n/a
University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing RAR-beta receptor				J Med Chem 41: 3753-7 (1998) Article DOI: 10.1021/jm980308p BindingDB Entry DOI: 10.7270/Q2TB1628
					More data for this Ligand-Target Pair

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