Compile Data Set for Download or QSAR

Found 193 hits with Last Name = 'ruiz' and Initial = 'fx'   

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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16313 (2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioy...) Show SMILES OC(=O)COc1cc(F)ccc1C(=S)NCc1ccc(Br)cc1F Show InChI InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16241 (2,3-dihydroxypropanal | D,L-glyceraldehyde | Glyce...) Show SMILES OCC(O)C=O Show InChI InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of glyceraldehyde reduction activity of human AKR1B1				Proc Natl Acad Sci USA 104: 20764-9 (2007) Article DOI: 10.1073/pnas.0705659105 BindingDB Entry DOI: 10.7270/Q2H132VS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50103642 (4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...) Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation into template				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00268 BindingDB Entry DOI: 10.7270/Q2X06BW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of retinaldehyde reductase activity of human AKR1B10				Proc Natl Acad Sci USA 104: 20764-9 (2007) Article DOI: 10.1073/pnas.0705659105 BindingDB Entry DOI: 10.7270/Q2H132VS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Arginase-1 (Homo sapiens (Human))	BDBM50439246 (CHEMBL2418830) Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccc(Cl)cc1)C(O)=O |TLB:17:16:12.13:9.10.15| Show InChI InChI=1S/C20H30BClN2O4/c22-16-5-3-14(4-6-16)13-24-17-7-8-18(24)12-15(11-17)20(23,19(25)26)9-1-2-10-21(27)28/h3-6,15,17-18,27-28H,1-2,7-13,23H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50439247 (CHEMBL2418831) Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccc(Cl)c(Cl)c1)C(O)=O |TLB:17:16:12.13:9.10.15| Show InChI InChI=1S/C20H29BCl2N2O4/c22-17-6-3-13(9-18(17)23)12-25-15-4-5-16(25)11-14(10-15)20(24,19(26)27)7-1-2-8-21(28)29/h3,6,9,14-16,28-29H,1-2,4-5,7-8,10-12,24H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50439245 (CHEMBL2418991) Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccc(F)c(F)c1)C(O)=O |TLB:17:16:12.13:9.10.15| Show InChI InChI=1S/C20H29BF2N2O4/c22-17-6-3-13(9-18(17)23)12-25-15-4-5-16(25)11-14(10-15)20(24,19(26)27)7-1-2-8-21(28)29/h3,6,9,14-16,28-29H,1-2,4-5,7-8,10-12,24H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Arginase-2, mitochondrial (Homo sapiens (Human))	BDBM50439247 (CHEMBL2418831) Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccc(Cl)c(Cl)c1)C(O)=O |TLB:17:16:12.13:9.10.15| Show InChI InChI=1S/C20H29BCl2N2O4/c22-17-6-3-13(9-18(17)23)12-25-15-4-5-16(25)11-14(10-15)20(24,19(26)27)7-1-2-8-21(28)29/h3,6,9,14-16,28-29H,1-2,4-5,7-8,10-12,24H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50439244 (CHEMBL2418829) Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccccc1)C(O)=O |TLB:17:16:12.13:9.10.15| Show InChI InChI=1S/C20H31BN2O4/c22-20(19(24)25,10-4-5-11-21(26)27)16-12-17-8-9-18(13-16)23(17)14-15-6-2-1-3-7-15/h1-3,6-7,16-18,26-27H,4-5,8-14,22H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM200221 (2-(5-chloro-2-(((perbromophenyl)methyl)carbamoyl)p...) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)c(Br)c(Br)c(Br)c1Br Show InChI InChI=1S/C16H9Br5ClNO4/c17-11-8(12(18)14(20)15(21)13(11)19)4-23-16(26)7-2-1-6(22)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Arginase-2, mitochondrial (Homo sapiens (Human))	BDBM50439246 (CHEMBL2418830) Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccc(Cl)cc1)C(O)=O |TLB:17:16:12.13:9.10.15| Show InChI InChI=1S/C20H30BClN2O4/c22-16-5-3-14(4-6-16)13-24-17-7-8-18(24)12-15(11-17)20(23,19(25)26)9-1-2-10-21(27)28/h3-6,15,17-18,27-28H,1-2,7-13,23H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Arginase-2, mitochondrial (Homo sapiens (Human))	BDBM50439245 (CHEMBL2418991) Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccc(F)c(F)c1)C(O)=O |TLB:17:16:12.13:9.10.15| Show InChI InChI=1S/C20H29BF2N2O4/c22-17-6-3-13(9-18(17)23)12-25-15-4-5-16(25)11-14(10-15)20(24,19(26)27)7-1-2-8-21(28)29/h3,6,9,14-16,28-29H,1-2,4-5,7-8,10-12,24H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50520394 (CHEMBL4442726) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)c(F)c2)nc2ccsc12 Show InChI InChI=1S/C24H16FN5OS/c1-14-10-16(4-3-8-26)11-15(2)21(14)31-23-22-20(7-9-32-22)29-24(30-23)28-18-6-5-17(13-27)19(25)12-18/h3-7,9-12H,1-2H3,(H,28,29,30)/b4-3+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation in to cDNA chain incubated for 1 hr by ELISA				J Med Chem 63: 1298-1312 (2020) Article DOI: 10.1021/acs.jmedchem.9b01769 BindingDB Entry DOI: 10.7270/Q2K64NGM
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam substrate in presence of NADPH incubated for 10 mins				J Med Chem 63: 1298-1312 (2020) Article DOI: 10.1021/acs.jmedchem.9b01769 BindingDB Entry DOI: 10.7270/Q2K64NGM
					More data for this Ligand-Target Pair
Arginase-2, mitochondrial (Homo sapiens (Human))	BDBM50439244 (CHEMBL2418829) Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccccc1)C(O)=O |TLB:17:16:12.13:9.10.15| Show InChI InChI=1S/C20H31BN2O4/c22-20(19(24)25,10-4-5-11-21(26)27)16-12-17-8-9-18(13-16)23(17)14-15-6-2-1-3-7-15/h1-3,6-7,16-18,26-27H,4-5,8-14,22H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Arginase-2, mitochondrial (Homo sapiens (Human))	BDBM50439243 (CHEMBL2418998) Show SMILES NC(CCCCB(O)O)(C1CCN(CCCc2ccc(Cl)cc2Cl)CC1)C(O)=O Show InChI InChI=1S/C20H31BCl2N2O4/c22-17-6-5-15(18(23)14-17)4-3-11-25-12-7-16(8-13-25)20(24,19(26)27)9-1-2-10-21(28)29/h5-6,14,16,28-29H,1-4,7-13,24H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50520395 (CHEMBL4526117) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)c(F)c2)nc2sccc12 Show InChI InChI=1S/C24H16FN5OS/c1-14-10-16(4-3-8-26)11-15(2)21(14)31-22-19-7-9-32-23(19)30-24(29-22)28-18-6-5-17(13-27)20(25)12-18/h3-7,9-12H,1-2H3,(H,28,29,30)/b4-3+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation in to cDNA chain incubated for 1 hr by ELISA				J Med Chem 63: 1298-1312 (2020) Article DOI: 10.1021/acs.jmedchem.9b01769 BindingDB Entry DOI: 10.7270/Q2K64NGM
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50427899 (CHEMBL2326090) Show SMILES CN[C@](CCCCB(O)O)(CCN1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C14H29BN2O4/c1-16-14(13(18)19,7-3-4-9-15(20)21)8-12-17-10-5-2-6-11-17/h16,20-21H,2-12H2,1H3,(H,18,19)/t14-/m1/s1	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery , LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant full length arginase I overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea formation after 60 ...				J Med Chem 56: 2568-80 (2013) Article DOI: 10.1021/jm400014c BindingDB Entry DOI: 10.7270/Q2BC40WP
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia 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	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Arginase-2, mitochondrial (Homo sapiens (Human))	BDBM50427899 (CHEMBL2326090) Show SMILES CN[C@](CCCCB(O)O)(CCN1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C14H29BN2O4/c1-16-14(13(18)19,7-3-4-9-15(20)21)8-12-17-10-5-2-6-11-17/h16,20-21H,2-12H2,1H3,(H,18,19)/t14-/m1/s1	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	67	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery , LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant fully active truncated form of arginase 2 overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea ...				J Med Chem 56: 2568-80 (2013) Article DOI: 10.1021/jm400014c BindingDB Entry DOI: 10.7270/Q2BC40WP
					More data for this Ligand-Target Pair
Arginase-2, mitochondrial (Homo sapiens (Human))	BDBM50439241 (CHEMBL2418999) Show SMILES NC(CCCCB(O)O)(C1CCN(CCCc2ccc(cc2)C(F)(F)F)CC1)C(O)=O Show InChI InChI=1S/C21H32BF3N2O4/c23-21(24,25)18-7-5-16(6-8-18)4-3-13-27-14-9-17(10-15-27)20(26,19(28)29)11-1-2-12-22(30)31/h5-8,17,30-31H,1-4,9-15,26H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O Show InChI InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 [K125R,V301L] (Homo sapiens (Human))	BDBM200221 (2-(5-chloro-2-(((perbromophenyl)methyl)carbamoyl)p...) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)c(Br)c(Br)c(Br)c1Br Show InChI InChI=1S/C16H9Br5ClNO4/c17-11-8(12(18)14(20)15(21)13(11)19)4-23-16(26)7-2-1-6(22)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM200221 (2-(5-chloro-2-(((perbromophenyl)methyl)carbamoyl)p...) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)c(Br)c(Br)c(Br)c1Br Show InChI InChI=1S/C16H9Br5ClNO4/c17-11-8(12(18)14(20)15(21)13(11)19)4-23-16(26)7-2-1-6(22)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Arginase-1 (Homo sapiens (Human))	BDBM50439242 (CHEMBL2418828) Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2)C(O)=O Show InChI InChI=1S/C13H25BN2O4/c15-13(12(17)18,5-1-2-6-14(19)20)9-7-10-3-4-11(8-9)16-10/h9-11,16,19-20H,1-8,15H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Arginase-2, mitochondrial (Homo sapiens (Human))	BDBM50439242 (CHEMBL2418828) Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2)C(O)=O Show InChI InChI=1S/C13H25BN2O4/c15-13(12(17)18,5-1-2-6-14(19)20)9-7-10-3-4-11(8-9)16-10/h9-11,16,19-20H,1-8,15H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50575722 (CHEMBL4875952) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1-c1ccoc1)C#N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation into template				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00268 BindingDB Entry DOI: 10.7270/Q2X06BW2
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50439243 (CHEMBL2418998) Show SMILES NC(CCCCB(O)O)(C1CCN(CCCc2ccc(Cl)cc2Cl)CC1)C(O)=O Show InChI InChI=1S/C20H31BCl2N2O4/c22-17-6-5-15(18(23)14-17)4-3-11-25-12-7-16(8-13-25)20(24,19(26)27)9-1-2-10-21(28)29/h5-6,14,16,28-29H,1-4,7-13,24H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50427903 (CHEMBL2326087) Show SMILES CC(C)NCC[C@](N)(CCCCB(O)O)C(O)=O |r| Show InChI InChI=1S/C11H25BN2O4/c1-9(2)14-8-6-11(13,10(15)16)5-3-4-7-12(17)18/h9,14,17-18H,3-8,13H2,1-2H3,(H,15,16)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery , LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant full length arginase I overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea formation after 60 ...				J Med Chem 56: 2568-80 (2013) Article DOI: 10.1021/jm400014c BindingDB Entry DOI: 10.7270/Q2BC40WP
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50575725 (CHEMBL4858653) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1ccncc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation into template				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00268 BindingDB Entry DOI: 10.7270/Q2X06BW2
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50575723 (CHEMBL4873054) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1ccncc1)C#N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation into template				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00268 BindingDB Entry DOI: 10.7270/Q2X06BW2
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50439241 (CHEMBL2418999) Show SMILES NC(CCCCB(O)O)(C1CCN(CCCc2ccc(cc2)C(F)(F)F)CC1)C(O)=O Show InChI InChI=1S/C21H32BF3N2O4/c23-21(24,25)18-7-5-16(6-8-18)4-3-13-27-14-9-17(10-15-27)20(26,19(28)29)11-1-2-12-22(30)31/h5-8,17,30-31H,1-4,9-15,26H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50501152 (CHEMBL3929927) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2ccsc12)C#N Show InChI InChI=1S/C27H28N6O3S2/c1-17-13-20(15-28)14-18(2)24(17)36-26-25-23(9-12-37-25)31-27(32-26)30-21-7-10-33(11-8-21)16-19-3-5-22(6-4-19)38(29,34)35/h3-6,9,12-14,21H,7-8,10-11,16H2,1-2H3,(H2,29,34,35)(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells assessed as reduction in channel tail current by whole cell patch clamp assay				J Med Chem 63: 1298-1312 (2020) Article DOI: 10.1021/acs.jmedchem.9b01769 BindingDB Entry DOI: 10.7270/Q2K64NGM
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan substrate in presence of NADPH incubated for 10 mins				J Med Chem 63: 1298-1312 (2020) Article DOI: 10.1021/acs.jmedchem.9b01769 BindingDB Entry DOI: 10.7270/Q2K64NGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Arginase-1 (Homo sapiens (Human))	BDBM50427904 (CHEMBL2326086) Show SMILES CCCN(C)CC[C@](N)(CCCCB(O)O)C(O)=O |r| Show InChI InChI=1S/C12H27BN2O4/c1-3-9-15(2)10-7-12(14,11(16)17)6-4-5-8-13(18)19/h18-19H,3-10,14H2,1-2H3,(H,16,17)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery , LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant full length arginase I overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea formation after 60 ...				J Med Chem 56: 2568-80 (2013) Article DOI: 10.1021/jm400014c BindingDB Entry DOI: 10.7270/Q2BC40WP
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50575724 (CHEMBL4855106) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)ncc1-c1ccncc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type HIV1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation into template				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00268 BindingDB Entry DOI: 10.7270/Q2X06BW2
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50427911 (CHEMBL2326095) Show SMILES N[C@](CCCCB(O)O)(CCN1CCCC1)C(O)=O |r| Show InChI InChI=1S/C12H25BN2O4/c14-12(11(16)17,5-1-2-7-13(18)19)6-10-15-8-3-4-9-15/h18-19H,1-10,14H2,(H,16,17)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery , LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant full length arginase I overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea formation after 60 ...				J Med Chem 56: 2568-80 (2013) Article DOI: 10.1021/jm400014c BindingDB Entry DOI: 10.7270/Q2BC40WP
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50439240 (CHEMBL2418993) Show SMILES CC(C)CCN1CCC(CC1)C(N)(CCCCB(O)O)C(O)=O Show InChI InChI=1S/C16H33BN2O4/c1-13(2)5-10-19-11-6-14(7-12-19)16(18,15(20)21)8-3-4-9-17(22)23/h13-14,22-23H,3-12,18H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50520396 (CHEMBL4520763) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2F)C#N)nc2sccc12 Show InChI InChI=1S/C24H16FN5OS/c1-14-10-16(4-3-8-26)11-15(2)21(14)31-22-18-7-9-32-23(18)30-24(29-22)28-20-6-5-17(13-27)12-19(20)25/h3-7,9-12H,1-2H3,(H,28,29,30)/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells assessed as reduction in channel tail current by whole cell patch clamp assay				J Med Chem 63: 1298-1312 (2020) Article DOI: 10.1021/acs.jmedchem.9b01769 BindingDB Entry DOI: 10.7270/Q2K64NGM
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation in to cDNA chain incubated for 1 hr by ELISA				J Med Chem 63: 1298-1312 (2020) Article DOI: 10.1021/acs.jmedchem.9b01769 BindingDB Entry DOI: 10.7270/Q2K64NGM
					More data for this Ligand-Target Pair
Arginase-2, mitochondrial (Homo sapiens (Human))	BDBM50427903 (CHEMBL2326087) Show SMILES CC(C)NCC[C@](N)(CCCCB(O)O)C(O)=O |r| Show InChI InChI=1S/C11H25BN2O4/c1-9(2)14-8-6-11(13,10(15)16)5-3-4-7-12(17)18/h9,14,17-18H,3-8,13H2,1-2H3,(H,15,16)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery , LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant fully active truncated form of arginase 2 overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea ...				J Med Chem 56: 2568-80 (2013) Article DOI: 10.1021/jm400014c BindingDB Entry DOI: 10.7270/Q2BC40WP
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50439238 (CHEMBL2418995) Show SMILES NC(CCCCB(O)O)(C1CCN(Cc2ccc(Cl)cc2)CC1)C(O)=O Show InChI InChI=1S/C18H28BClN2O4/c20-16-5-3-14(4-6-16)13-22-11-7-15(8-12-22)18(21,17(23)24)9-1-2-10-19(25)26/h3-6,15,25-26H,1-2,7-13,21H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01104 BindingDB Entry DOI: 10.7270/Q2KP8660
					More data for this Ligand-Target Pair				3D Structure (crystal)
Arginase-1 (Homo sapiens (Human))	BDBM50439239 (CHEMBL2418994) Show SMILES NC(CCCCB(O)O)(C1CCN(Cc2ccccc2)CC1)C(O)=O Show InChI InChI=1S/C18H29BN2O4/c20-18(17(22)23,10-4-5-11-19(24)25)16-8-12-21(13-9-16)14-15-6-2-1-3-7-15/h1-3,6-7,16,24-25H,4-5,8-14,20H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50439237 (CHEMBL2418996) Show SMILES NC(CCCCB(O)O)(C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(O)=O Show InChI InChI=1S/C18H27BCl2N2O4/c20-15-4-3-13(11-16(15)21)12-23-9-5-14(6-10-23)18(22,17(24)25)7-1-2-8-19(26)27/h3-4,11,14,26-27H,1-2,5-10,12,22H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50439236 (CHEMBL2418997) Show SMILES NC(CCCCB(O)O)(C1CCN(CCc2ccc(Cl)cc2Cl)CC1)C(O)=O Show InChI InChI=1S/C19H29BCl2N2O4/c21-16-4-3-14(17(22)13-16)5-10-24-11-6-15(7-12-24)19(23,18(25)26)8-1-2-9-20(27)28/h3-4,13,15,27-28H,1-2,5-12,23H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 4837-41 (2013) Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50427909 (CHEMBL2326097) Show SMILES COC[C@@H]1CCCN1CC[C@](N)(CCCCB(O)O)C(O)=O |r| Show InChI InChI=1S/C14H29BN2O5/c1-22-11-12-5-4-9-17(12)10-7-14(16,13(18)19)6-2-3-8-15(20)21/h12,20-21H,2-11,16H2,1H3,(H,18,19)/t12-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery , LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant full length arginase I overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea formation after 60 ...				J Med Chem 56: 2568-80 (2013) Article DOI: 10.1021/jm400014c BindingDB Entry DOI: 10.7270/Q2BC40WP
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50014323 (2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...) Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	216	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate in presence of NADPH incubated for 10 mins				J Med Chem 63: 1298-1312 (2020) Article DOI: 10.1021/acs.jmedchem.9b01769 BindingDB Entry DOI: 10.7270/Q2K64NGM
					More data for this Ligand-Target Pair				3D Structure (crystal)

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