Compile Data Set for Download or QSAR

Found 610 hits with Last Name = 'baba' and Initial = 'm'   

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
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50483329 (CHEMBL1650290) Show SMILES Cc1cn([C@@H]2O[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C2)c(=O)[nH]c1=O |r,c:23| Show InChI InChI=1S/C12H17N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h3-6,9H,1,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase P119S/T165A mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50483329 (CHEMBL1650290) Show SMILES Cc1cn([C@@H]2O[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C2)c(=O)[nH]c1=O |r,c:23| Show InChI InChI=1S/C12H17N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h3-6,9H,1,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 Reverse transcriptase				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50483329 (CHEMBL1650290) Show SMILES Cc1cn([C@@H]2O[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C2)c(=O)[nH]c1=O |r,c:23| Show InChI InChI=1S/C12H17N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h3-6,9H,1,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase T165A mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Inhibitory activity measured against alpha-L-fucosidase of bovine epididymis by colorimetric assay using the D-glucose oxidase-peroxidase method				J Med Chem 41: 2565-71 (1998) Article DOI: 10.1021/jm970836l BindingDB Entry DOI: 10.7270/Q25D8SHK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50065257 ((2R,3R,4R,5R,6S)-2-Hydroxymethyl-6-methyl-piperidi...) Show SMILES C[C@@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C7H15NO4/c1-3-5(10)7(12)6(11)4(2-9)8-3/h3-12H,2H2,1H3/t3-,4+,5+,6+,7+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Inhibitory activity measured against alpha-L-fucosidase of bovine epididymis by colorimetric assay using the D-glucose oxidase-peroxidase method				J Med Chem 41: 2565-71 (1998) Article DOI: 10.1021/jm970836l BindingDB Entry DOI: 10.7270/Q25D8SHK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50483329 (CHEMBL1650290) Show SMILES Cc1cn([C@@H]2O[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C2)c(=O)[nH]c1=O |r,c:23| Show InChI InChI=1S/C12H17N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h3-6,9H,1,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase P119S mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50483329 (CHEMBL1650290) Show SMILES Cc1cn([C@@H]2O[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C2)c(=O)[nH]c1=O |r,c:23| Show InChI InChI=1S/C12H17N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h3-6,9H,1,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase M184V mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase T165A mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase P119S/T165A mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50408432 (CHEMBL2115215) Show SMILES OC[C@H]1N[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4+,5-,6-,7+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Compound was tested for binding affinity against alpha-glucosidase				J Med Chem 41: 2565-71 (1998) Article DOI: 10.1021/jm970836l BindingDB Entry DOI: 10.7270/Q25D8SHK
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase P119S/M184V mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 Reverse transcriptase				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50483329 (CHEMBL1650290) Show SMILES Cc1cn([C@@H]2O[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C2)c(=O)[nH]c1=O |r,c:23| Show InChI InChI=1S/C12H17N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h3-6,9H,1,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase P119S/M184V mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase P119S mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50483329 (CHEMBL1650290) Show SMILES Cc1cn([C@@H]2O[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C2)c(=O)[nH]c1=O |r,c:23| Show InChI InChI=1S/C12H17N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h3-6,9H,1,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase P119S/T165A/M184V mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase M184V mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase P119S/T165A/M184V mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/AAC.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50065259 ((2R,3R,4R,5R)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Inhibitory activity measured against alpha-L-fucosidase of bovine epididymis by colorimetric assay using the D-glucose oxidase-peroxidase method				J Med Chem 41: 2565-71 (1998) Article DOI: 10.1021/jm970836l BindingDB Entry DOI: 10.7270/Q25D8SHK
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50408431 (CHEMBL2114210) Show SMILES OC[C@H]1N[C@H](CO)[C@@H](O)C(O)[C@@H]1O Show InChI InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Compound was tested for binding affinity against alpha-glucosidase				J Med Chem 41: 2565-71 (1998) Article DOI: 10.1021/jm970836l BindingDB Entry DOI: 10.7270/Q25D8SHK
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50065255 ((R)-2,6-Bis-hydroxymethyl-piperidine-3,4,5-triol |...) Show SMILES OCC1NC(CO)[C@@H](O)C(O)C1O Show InChI InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3?,4?,5-,6?,7?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Compound was tested for binding affinity against alpha-glucosidase				J Med Chem 41: 2565-71 (1998) Article DOI: 10.1021/jm970836l BindingDB Entry DOI: 10.7270/Q25D8SHK
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50108112 (CHEMBL3601648) Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C19H16O7/c1-24-17-10-14(11-20)4-8-16(17)26-19(23)12-25-18(22)9-5-13-2-6-15(21)7-3-13/h2-11,21H,12H2,1H3/b9-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kongju National University Curated by ChEMBL					Assay Description Competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-inhibitor dissociation constant preincubated for 10 mins f...				Bioorg Med Chem 23: 5870-80 (2015) Article DOI: 10.1016/j.bmc.2015.06.068 BindingDB Entry DOI: 10.7270/Q20P11SM
					More data for this Ligand-Target Pair
Alpha-mannosidase 2 (Rattus norvegicus)	BDBM50016703 (2-Hydroxymethyl-pyrrolidine-3,4-diol | BDBM5003148...) Show SMILES OC[C@H]1NC[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Competitive Inhibitory activity against Golgi Alpha-mannosidase II				J Med Chem 38: 2349-56 (1995) BindingDB Entry DOI: 10.7270/Q2N878T0
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50108113 (CHEMBL3601649) Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C19H15ClO6/c1-24-17-10-14(11-21)4-8-16(17)26-19(23)12-25-18(22)9-5-13-2-6-15(20)7-3-13/h2-11H,12H2,1H3/b9-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kongju National University Curated by ChEMBL					Assay Description Competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-inhibitor dissociation constant preincubated for 10 mins f...				Bioorg Med Chem 23: 5870-80 (2015) Article DOI: 10.1016/j.bmc.2015.06.068 BindingDB Entry DOI: 10.7270/Q20P11SM
					More data for this Ligand-Target Pair
Alpha-mannosidase 2 (Rattus norvegicus)	BDBM18351 ((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	<5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Competitive Inhibitory activity against Golgi Alpha-mannosidase II				J Med Chem 38: 2349-56 (1995) BindingDB Entry DOI: 10.7270/Q2N878T0
					More data for this Ligand-Target Pair
Alpha-mannosidase 2 (Rattus norvegicus)	BDBM18355 ((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...) Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	<5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Competitive Inhibitory activity against Golgi Alpha-mannosidase II				J Med Chem 38: 2349-56 (1995) BindingDB Entry DOI: 10.7270/Q2N878T0
					More data for this Ligand-Target Pair
Alpha-mannosidase 2 (Rattus norvegicus)	BDBM18353 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine...) Show SMILES CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6-,7-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	<5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Competitive Inhibitory activity against Golgi Alpha-mannosidase II				J Med Chem 38: 2349-56 (1995) BindingDB Entry DOI: 10.7270/Q2N878T0
					More data for this Ligand-Target Pair
Alpha-mannosidase 2 (Rattus norvegicus)	BDBM50031480 ((2R,3R,4R)-2-Hydroxymethyl-1-methyl-pyrrolidine-3,...) Show SMILES CN1C[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C6H13NO3/c1-7-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3H2,1H3/t4-,5-,6-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Competitive Inhibitory activity against Golgi Alpha-mannosidase II				J Med Chem 38: 2349-56 (1995) BindingDB Entry DOI: 10.7270/Q2N878T0
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50108112 (CHEMBL3601648) Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C19H16O7/c1-24-17-10-14(11-20)4-8-16(17)26-19(23)12-25-18(22)9-5-13-2-6-15(21)7-3-13/h2-11,21H,12H2,1H3/b9-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kongju National University Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-substrate-inhibitor dissociation constant preincubated...				Bioorg Med Chem 23: 5870-80 (2015) Article DOI: 10.1016/j.bmc.2015.06.068 BindingDB Entry DOI: 10.7270/Q20P11SM
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50108114 (CHEMBL3601650) Show SMILES COc1cc(C=O)ccc1OC(=O)CN1CCN(C)CC1 Show InChI InChI=1S/C15H20N2O4/c1-16-5-7-17(8-6-16)10-15(19)21-13-4-3-12(11-18)9-14(13)20-2/h3-4,9,11H,5-8,10H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kongju National University Curated by ChEMBL					Assay Description Competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-inhibitor dissociation constant preincubated for 10 mins f...				Bioorg Med Chem 23: 5870-80 (2015) Article DOI: 10.1016/j.bmc.2015.06.068 BindingDB Entry DOI: 10.7270/Q20P11SM
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50108109 (CHEMBL3601645) Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)c1ccc(O)cc1O Show InChI InChI=1S/C17H14O8/c1-23-15-6-10(8-18)2-5-14(15)25-16(21)9-24-17(22)12-4-3-11(19)7-13(12)20/h2-8,19-20H,9H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kongju National University Curated by ChEMBL					Assay Description Competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-inhibitor dissociation constant preincubated for 10 mins f...				Bioorg Med Chem 23: 5870-80 (2015) Article DOI: 10.1016/j.bmc.2015.06.068 BindingDB Entry DOI: 10.7270/Q20P11SM
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50108113 (CHEMBL3601649) Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C19H15ClO6/c1-24-17-10-14(11-21)4-8-16(17)26-19(23)12-25-18(22)9-5-13-2-6-15(20)7-3-13/h2-11H,12H2,1H3/b9-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kongju National University Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-substrate-inhibitor dissociation constant preincubated...				Bioorg Med Chem 23: 5870-80 (2015) Article DOI: 10.1016/j.bmc.2015.06.068 BindingDB Entry DOI: 10.7270/Q20P11SM
					More data for this Ligand-Target Pair
Alpha-mannosidase 2 (Rattus norvegicus)	BDBM50031484 ((2R,3R,4R)-1-Butyl-2-hydroxymethyl-pyrrolidine-3,4...) Show SMILES CCCCN1C[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C9H19NO3/c1-2-3-4-10-5-8(12)9(13)7(10)6-11/h7-9,11-13H,2-6H2,1H3/t7-,8-,9-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Competitive Inhibitory activity against Golgi Alpha-mannosidase II				J Med Chem 38: 2349-56 (1995) BindingDB Entry DOI: 10.7270/Q2N878T0
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50108109 (CHEMBL3601645) Show SMILES COc1cc(C=O)ccc1OC(=O)COC(=O)c1ccc(O)cc1O Show InChI InChI=1S/C17H14O8/c1-23-15-6-10(8-18)2-5-14(15)25-16(21)9-24-17(22)12-4-3-11(19)7-13(12)20/h2-8,19-20H,9H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.05E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kongju National University Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-substrate-inhibitor dissociation constant preincubated...				Bioorg Med Chem 23: 5870-80 (2015) Article DOI: 10.1016/j.bmc.2015.06.068 BindingDB Entry DOI: 10.7270/Q20P11SM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50422828 (CENICRIVIROC | CENICRIVIROC MESYLATE | TAK-652 | T...) Show SMILES CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC |r,w:27.28| Show InChI InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/t50-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5				J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50184396 ((S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-isobutyl-...) Show SMILES CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1nncn1CCC |w:27.28| Show InChI InChI=1S/C40H51N5O4S/c1-5-7-22-48-23-24-49-36-15-10-31(11-16-36)32-12-19-38-34(25-32)26-33(9-8-21-44(38)27-30(3)4)40(46)42-35-13-17-37(18-14-35)50(47)28-39-43-41-29-45(39)20-6-2/h10-19,25-26,29-30H,5-9,20-24,27-28H2,1-4H3,(H,42,46)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5				J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50422828 (CENICRIVIROC | CENICRIVIROC MESYLATE | TAK-652 | T...) Show SMILES CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC |r,w:27.28| Show InChI InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/t50-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of replication of R5 HIV1 Ba-L in MOLT4/CCR5 cells				J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50184399 ((S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-[(1-methy...) Show SMILES CCCCOCCOc1ccc(cc1)-c1ccc2N(Cc3cnn(C)c3)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC |w:30.32| Show InChI InChI=1S/C42H50N6O4S/c1-4-6-21-51-22-23-52-39-14-9-33(10-15-39)34-11-18-41-36(24-34)25-35(8-7-20-47(41)29-32-26-44-46(3)28-32)42(49)45-37-12-16-40(17-13-37)53(50)30-38-27-43-31-48(38)19-5-2/h9-18,24-28,31H,4-8,19-23,29-30H2,1-3H3,(H,45,49)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5				J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50184398 ((S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-propyl-N-...) Show SMILES CCCCOCCOc1ccc(cc1)-c1ccc2N(CCC)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC |w:26.27| Show InChI InChI=1S/C40H50N4O4S/c1-4-7-23-47-24-25-48-37-15-10-31(11-16-37)32-12-19-39-34(26-32)27-33(9-8-22-43(39)20-5-2)40(45)42-35-13-17-38(18-14-35)49(46)29-36-28-41-30-44(36)21-6-3/h10-19,26-28,30H,4-9,20-25,29H2,1-3H3,(H,42,45)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5				J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50185979 (1-acetyl-N-{3-[4-(4-carbamoylbenzyl)piperidin-1-yl...) Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(C)c(Cl)c1 Show InChI InChI=1S/C31H41ClN4O3/c1-22-4-9-28(21-29(22)32)36(31(39)27-12-18-35(19-13-27)23(2)37)15-3-14-34-16-10-25(11-17-34)20-24-5-7-26(8-6-24)30(33)38/h4-9,21,25,27H,3,10-20H2,1-2H3,(H2,33,38)	PDB 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	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5				J Med Chem 49: 2784-93 (2006) Article DOI: 10.1021/jm051034q BindingDB Entry DOI: 10.7270/Q2ZK5G8F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50184400 ((S)-(-)-9-{4-[2-(butoxy)ethoxy]phenyl}-1-isobutyl-...) Show SMILES CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC |w:28.29| Show InChI InChI=1S/C42H54N4O4S/c1-5-7-23-49-24-25-50-39-16-11-33(12-17-39)34-13-20-41-36(26-34)27-35(10-8-9-22-45(41)29-32(3)4)42(47)44-37-14-18-40(19-15-37)51(48)30-38-28-43-31-46(38)21-6-2/h11-20,26-28,31-32H,5-10,21-25,29-30H2,1-4H3,(H,44,47)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5				J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50185967 (CHEMBL207487 | N-(3-(4-(4-(methylsulfonyl)benzyl)p...) Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H39Cl2N3O5S2/c1-40(36,37)26-7-4-22(5-8-26)20-23-10-16-32(17-11-23)14-3-15-34(25-6-9-27(30)28(31)21-25)29(35)24-12-18-33(19-13-24)41(2,38)39/h4-9,21,23-24H,3,10-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5				J Med Chem 49: 2784-93 (2006) Article DOI: 10.1021/jm051034q BindingDB Entry DOI: 10.7270/Q2ZK5G8F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50184402 ((S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-propyl-N-...) Show SMILES CCCCOCCOc1ccc(cc1)-c1ccc2N(CCC)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1nncn1CCC |w:26.27| Show InChI InChI=1S/C39H49N5O4S/c1-4-7-23-47-24-25-48-35-15-10-30(11-16-35)31-12-19-37-33(26-31)27-32(9-8-22-43(37)20-5-2)39(45)41-34-13-17-36(18-14-34)49(46)28-38-42-40-29-44(38)21-6-3/h10-19,26-27,29H,4-9,20-25,28H2,1-3H3,(H,41,45)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5				J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50184403 (7-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-N-(4-((1-p...) Show SMILES CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC |c:26| Show InChI InChI=1S/C40H50N4O4S/c1-5-7-21-47-22-23-48-37-13-8-31(9-14-37)32-10-17-39-34(24-32)25-33(18-20-43(39)27-30(3)4)40(45)42-35-11-15-38(16-12-35)49(46)28-36-26-41-29-44(36)19-6-2/h8-17,24-26,29-30H,5-7,18-23,27-28H2,1-4H3,(H,42,45)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5				J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50185972 (CHEMBL207182 | N-(3-(4-(4-fluorobenzyl)piperidin-1...) Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H36Cl2FN3O2/c1-21(36)34-17-11-24(12-18-34)29(37)35(26-7-8-27(30)28(31)20-26)14-2-13-33-15-9-23(10-16-33)19-22-3-5-25(32)6-4-22/h3-8,20,23-24H,2,9-19H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells				J Med Chem 49: 2784-93 (2006) Article DOI: 10.1021/jm051034q BindingDB Entry DOI: 10.7270/Q2ZK5G8F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50088321 (CHEMBL292548 | Dimethyl-(tetrahydro-pyran-4-yl)-{4...) Show SMILES Cc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15| Show InChI InChI=1S/C32H36N2O3/c1-23-4-8-25(9-5-23)26-10-13-31-28(20-26)21-27(14-19-37-31)32(35)33-29-11-6-24(7-12-29)22-34(2,3)30-15-17-36-18-16-30/h4-13,20-21,30H,14-19,22H2,1-3H3/p+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES				J Med Chem 43: 2049-63 (2000) BindingDB Entry DOI: 10.7270/Q26D5S75
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50185973 (CHEMBL207630 | N-{3-[4-(4-cyanobenzyl)piperidin-1-...) Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C#N)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H36Cl2N4O3S/c1-39(37,38)34-17-11-25(12-18-34)29(36)35(26-7-8-27(30)28(31)20-26)14-2-13-33-15-9-23(10-16-33)19-22-3-5-24(21-32)6-4-22/h3-8,20,23,25H,2,9-19H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5				J Med Chem 49: 2784-93 (2006) Article DOI: 10.1021/jm051034q BindingDB Entry DOI: 10.7270/Q2ZK5G8F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50088301 ((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...) Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15| Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES				J Med Chem 43: 2049-63 (2000) BindingDB Entry DOI: 10.7270/Q26D5S75
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50088301 ((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...) Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15| Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from CCR5 expressed in CHO cells				J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50184398 ((S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-propyl-N-...) Show SMILES CCCCOCCOc1ccc(cc1)-c1ccc2N(CCC)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC |w:26.27| Show InChI InChI=1S/C40H50N4O4S/c1-4-7-23-47-24-25-48-37-15-10-31(11-16-37)32-12-19-39-34(26-32)27-33(9-8-22-43(39)20-5-2)40(45)42-35-13-17-38(18-14-35)49(46)29-36-28-41-30-44(36)21-6-3/h10-19,26-28,30H,4-9,20-25,29H2,1-3H3,(H,42,45)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of replication of R5 HIV1 Ba-L in MOLT4/CCR5 cells				J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50088301 ((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...) Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15| Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5				J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303
					More data for this Ligand-Target Pair

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