Compile Data Set for Download or QSAR

Found 467 hits with Last Name = 'roy' and Initial = 'g'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50246792 (CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1 |r| Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human recombinant pro-MMP2 by spectrofluorimeter				Bioorg Med Chem 16: 8745-59 (2008) Article DOI: 10.1016/j.bmc.2008.07.041 BindingDB Entry DOI: 10.7270/Q2R49QM0
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50609391 (CHEMBL5271649) Show SMILES CN(C)c1ccc(\C=C2/Cc3cc(I)ccc3C2=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50609382 (CHEMBL5274547) Show SMILES O=C1\C(Oc2ccccc12)=C\c1c2ccccc2cc2ccccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50609382 (CHEMBL5274547) Show SMILES O=C1\C(Oc2ccccc12)=C\c1c2ccccc2cc2ccccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50390102 (CHEMBL2069433) Show SMILES CN(C)c1ccc(\C=C2/Nc3ccc(I)cc3C2=O)cc1 Show InChI InChI=1S/C17H15IN2O/c1-20(2)13-6-3-11(4-7-13)9-16-17(21)14-10-12(18)5-8-15(14)19-16/h3-10,19H,1-2H3/b16-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50246792 (CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1 |r| Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	415	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP3 catalytic domain by spectrofluorimeter				Bioorg Med Chem 16: 8745-59 (2008) Article DOI: 10.1016/j.bmc.2008.07.041 BindingDB Entry DOI: 10.7270/Q2R49QM0
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50246792 (CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1 |r| Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	523	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human recombinant pro-MMP7 by spectrofluorimeter				Bioorg Med Chem 16: 8745-59 (2008) Article DOI: 10.1016/j.bmc.2008.07.041 BindingDB Entry DOI: 10.7270/Q2R49QM0
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50439491 (AUREUSIDIN) Show SMILES Oc1cc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c(O)c1 Show InChI InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/b13-4-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars		800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50439491 (AUREUSIDIN) Show SMILES Oc1cc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c(O)c1 Show InChI InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/b13-4-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars		1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50439491 (AUREUSIDIN) Show SMILES Oc1cc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c(O)c1 Show InChI InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/b13-4-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars		1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50439491 (AUREUSIDIN) Show SMILES Oc1cc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c(O)c1 Show InChI InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/b13-4-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars		1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50246792 (CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1 |r| Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP14 catalytic domain by spectrofluorimeter				Bioorg Med Chem 16: 8745-59 (2008) Article DOI: 10.1016/j.bmc.2008.07.041 BindingDB Entry DOI: 10.7270/Q2R49QM0
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	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	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human recombinant pro-MMP1 by spectrofluorimeter				Bioorg Med Chem 16: 8745-59 (2008) Article DOI: 10.1016/j.bmc.2008.07.041 BindingDB Entry DOI: 10.7270/Q2R49QM0
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	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	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human recombinant pro-MMP2 by spectrofluorimeter				Bioorg Med Chem 16: 8745-59 (2008) Article DOI: 10.1016/j.bmc.2008.07.041 BindingDB Entry DOI: 10.7270/Q2R49QM0
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	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	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	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	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human recombinant pro-MMP9 by spectrofluorimeter				Bioorg Med Chem 16: 8745-59 (2008) Article DOI: 10.1016/j.bmc.2008.07.041 BindingDB Entry DOI: 10.7270/Q2R49QM0
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM452998 ((2R,3R,4S,5S)-2-(4-amino- 7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2ccc(Cl)cc12 |r| Show InChI InChI=1S/C18H17ClN4O4/c19-9-2-1-8-6-26-14(11(8)5-9)15-12(24)13(25)18(27-15)23-4-3-10-16(20)21-7-22-17(10)23/h1-5,7,12-15,18,24-25H,6H2,(H2,20,21,22)/t12-,13+,14+,15-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Prelude Therapeutics Incorporated US Patent					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				US Patent US10711007 (2020) BindingDB Entry DOI: 10.7270/Q2RR2286
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM452998 ((2R,3R,4S,5S)-2-(4-amino- 7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2ccc(Cl)cc12 |r| Show InChI InChI=1S/C18H17ClN4O4/c19-9-2-1-8-6-26-14(11(8)5-9)15-12(24)13(25)18(27-15)23-4-3-10-16(20)21-7-22-17(10)23/h1-5,7,12-15,18,24-25H,6H2,(H2,20,21,22)/t12-,13+,14+,15-,18+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FJ2M0C
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM452999 ((2S,3S,4R,5R)-2-((R)-6- chloro-1,3- dihydroisobenz...) Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2ccc(Cl)cc12 |r| Show InChI InChI=1S/C19H18ClN3O4/c1-9-12-4-5-23(18(12)22-8-21-9)19-15(25)14(24)17(27-19)16-13-6-11(20)3-2-10(13)7-26-16/h2-6,8,14-17,19,24-25H,7H2,1H3/t14-,15+,16+,17-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Prelude Therapeutics Incorporated US Patent					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				US Patent US10711007 (2020) BindingDB Entry DOI: 10.7270/Q2RR2286
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM452998 ((2R,3R,4S,5S)-2-(4-amino- 7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2ccc(Cl)cc12 |r| Show InChI InChI=1S/C18H17ClN4O4/c19-9-2-1-8-6-26-14(11(8)5-9)15-12(24)13(25)18(27-15)23-4-3-10-16(20)21-7-22-17(10)23/h1-5,7,12-15,18,24-25H,6H2,(H2,20,21,22)/t12-,13+,14+,15-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VR9
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM452999 ((2S,3S,4R,5R)-2-((R)-6- chloro-1,3- dihydroisobenz...) Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2ccc(Cl)cc12 |r| Show InChI InChI=1S/C19H18ClN3O4/c1-9-12-4-5-23(18(12)22-8-21-9)19-15(25)14(24)17(27-19)16-13-6-11(20)3-2-10(13)7-26-16/h2-6,8,14-17,19,24-25H,7H2,1H3/t14-,15+,16+,17-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VR9
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM452999 ((2S,3S,4R,5R)-2-((R)-6- chloro-1,3- dihydroisobenz...) Show SMILES Cc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2ccc(Cl)cc12 |r| Show InChI InChI=1S/C19H18ClN3O4/c1-9-12-4-5-23(18(12)22-8-21-9)19-15(25)14(24)17(27-19)16-13-6-11(20)3-2-10(13)7-26-16/h2-6,8,14-17,19,24-25H,7H2,1H3/t14-,15+,16+,17-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FJ2M0C
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	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	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453006 ((2R,3R,4S,5S)-2-(4-amino-7H- pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H19ClN4O4/c20-10-1-2-11-9(7-10)4-6-27-15(11)16-13(25)14(26)19(28-16)24-5-3-12-17(21)22-8-23-18(12)24/h1-3,5,7-8,13-16,19,25-26H,4,6H2,(H2,21,22,23)/t13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FJ2M0C
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453006 ((2R,3R,4S,5S)-2-(4-amino-7H- pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H19ClN4O4/c20-10-1-2-11-9(7-10)4-6-27-15(11)16-13(25)14(26)19(28-16)24-5-3-12-17(21)22-8-23-18(12)24/h1-3,5,7-8,13-16,19,25-26H,4,6H2,(H2,21,22,23)/t13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Prelude Therapeutics Incorporated US Patent					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				US Patent US10711007 (2020) BindingDB Entry DOI: 10.7270/Q2RR2286
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453006 ((2R,3R,4S,5S)-2-(4-amino-7H- pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H19ClN4O4/c20-10-1-2-11-9(7-10)4-6-27-15(11)16-13(25)14(26)19(28-16)24-5-3-12-17(21)22-8-23-18(12)24/h1-3,5,7-8,13-16,19,25-26H,4,6H2,(H2,21,22,23)/t13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VR9
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453011 ((2R,3R,4S,5S)-2-(4-amino-7H- pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(F)c(F)cc12 |r| Show InChI InChI=1S/C19H18F2N4O4/c20-11-5-8-2-4-28-15(10(8)6-12(11)21)16-13(26)14(27)19(29-16)25-3-1-9-17(22)23-7-24-18(9)25/h1,3,5-7,13-16,19,26-27H,2,4H2,(H2,22,23,24)/t13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.45	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VR9
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453011 ((2R,3R,4S,5S)-2-(4-amino-7H- pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(F)c(F)cc12 |r| Show InChI InChI=1S/C19H18F2N4O4/c20-11-5-8-2-4-28-15(10(8)6-12(11)21)16-13(26)14(27)19(29-16)25-3-1-9-17(22)23-7-24-18(9)25/h1,3,5-7,13-16,19,26-27H,2,4H2,(H2,22,23,24)/t13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.45	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FJ2M0C
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453011 ((2R,3R,4S,5S)-2-(4-amino-7H- pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(F)c(F)cc12 |r| Show InChI InChI=1S/C19H18F2N4O4/c20-11-5-8-2-4-28-15(10(8)6-12(11)21)16-13(26)14(27)19(29-16)25-3-1-9-17(22)23-7-24-18(9)25/h1,3,5-7,13-16,19,26-27H,2,4H2,(H2,22,23,24)/t13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.45	n/a	n/a	n/a	n/a	n/a	n/a
Prelude Therapeutics Incorporated US Patent					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				US Patent US10711007 (2020) BindingDB Entry DOI: 10.7270/Q2RR2286
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	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	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM452997 ((2R,3R,4S,5S)-2-(4-amino- 7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2cc(F)c(F)cc12 |r| Show InChI InChI=1S/C18H16F2N4O4/c19-10-3-7-5-27-14(9(7)4-11(10)20)15-12(25)13(26)18(28-15)24-2-1-8-16(21)22-6-23-17(8)24/h1-4,6,12-15,18,25-26H,5H2,(H2,21,22,23)/t12-,13+,14+,15-,18+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FJ2M0C
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM452997 ((2R,3R,4S,5S)-2-(4-amino- 7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2cc(F)c(F)cc12 |r| Show InChI InChI=1S/C18H16F2N4O4/c19-10-3-7-5-27-14(9(7)4-11(10)20)15-12(25)13(26)18(28-15)24-2-1-8-16(21)22-6-23-17(8)24/h1-4,6,12-15,18,25-26H,5H2,(H2,21,22,23)/t12-,13+,14+,15-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VR9
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM452997 ((2R,3R,4S,5S)-2-(4-amino- 7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCc2cc(F)c(F)cc12 |r| Show InChI InChI=1S/C18H16F2N4O4/c19-10-3-7-5-27-14(9(7)4-11(10)20)15-12(25)13(26)18(28-15)24-2-1-8-16(21)22-6-23-17(8)24/h1-4,6,12-15,18,25-26H,5H2,(H2,21,22,23)/t12-,13+,14+,15-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Prelude Therapeutics Incorporated US Patent					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				US Patent US10711007 (2020) BindingDB Entry DOI: 10.7270/Q2RR2286
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453033 ((2R,3R,4S,5S)-2-(4-amino- 7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC[C@H](F)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H18ClFN4O4/c20-8-1-2-9-11(5-8)12(21)6-28-15(9)16-13(26)14(27)19(29-16)25-4-3-10-17(22)23-7-24-18(10)25/h1-5,7,12-16,19,26-27H,6H2,(H2,22,23,24)/t12-,13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Prelude Therapeutics Incorporated US Patent					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				US Patent US10711007 (2020) BindingDB Entry DOI: 10.7270/Q2RR2286
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453033 ((2R,3R,4S,5S)-2-(4-amino- 7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC[C@H](F)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H18ClFN4O4/c20-8-1-2-9-11(5-8)12(21)6-28-15(9)16-13(26)14(27)19(29-16)25-4-3-10-17(22)23-7-24-18(10)25/h1-5,7,12-16,19,26-27H,6H2,(H2,22,23,24)/t12-,13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VR9
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453026 ((2R,3R,4S,5S)-2-(4-amino- 7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)c(Cl)cc12 |r| Show InChI InChI=1S/C19H18Cl2N4O4/c20-11-5-8-2-4-28-15(10(8)6-12(11)21)16-13(26)14(27)19(29-16)25-3-1-9-17(22)23-7-24-18(9)25/h1,3,5-7,13-16,19,26-27H,2,4H2,(H2,22,23,24)/t13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FJ2M0C
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453026 ((2R,3R,4S,5S)-2-(4-amino- 7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)c(Cl)cc12 |r| Show InChI InChI=1S/C19H18Cl2N4O4/c20-11-5-8-2-4-28-15(10(8)6-12(11)21)16-13(26)14(27)19(29-16)25-3-1-9-17(22)23-7-24-18(9)25/h1,3,5-7,13-16,19,26-27H,2,4H2,(H2,22,23,24)/t13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Prelude Therapeutics Incorporated US Patent					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				US Patent US10711007 (2020) BindingDB Entry DOI: 10.7270/Q2RR2286
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50254779 (CHEMBL4061025) Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CS)C(C)C |r| Show InChI InChI=1S/C23H36N4O6S2/c1-6-15-20(29)27-19(13(4)5)23(32)33-14(8-7-9-34)10-17(28)26-18(12(2)3)22(31)25-16(11-35)21(30)24-15/h6-8,12-14,16,18-19,34-35H,9-11H2,1-5H3,(H,24,30)(H,25,31)(H,26,28)(H,27,29)/b8-7+,15-6-/t14-,16+,18-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Moléculaire de Reims, UMR 7312-CNRS, UFR Pharmacie , Université de Reims Champagne-Ardenne , 51 rue Cognacq-Jay , 51096 Reims Cedex , France. Curated by ChEMBL					Assay Description Inhibition of human HDAC1 expressed in human 293T cells preincubated for 15 mins in presence of [3H]acetyl-labeled histones measured after 30 mins by...				J Med Chem 61: 1745-1766 (2018) Article DOI: 10.1021/acs.jmedchem.7b00115 BindingDB Entry DOI: 10.7270/Q2FT8PGH
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453026 ((2R,3R,4S,5S)-2-(4-amino- 7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)c(Cl)cc12 |r| Show InChI InChI=1S/C19H18Cl2N4O4/c20-11-5-8-2-4-28-15(10(8)6-12(11)21)16-13(26)14(27)19(29-16)25-3-1-9-17(22)23-7-24-18(9)25/h1,3,5-7,13-16,19,26-27H,2,4H2,(H2,22,23,24)/t13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VR9
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453033 ((2R,3R,4S,5S)-2-(4-amino- 7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OC[C@H](F)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H18ClFN4O4/c20-8-1-2-9-11(5-8)12(21)6-28-15(9)16-13(26)14(27)19(29-16)25-4-3-10-17(22)23-7-24-18(10)25/h1-5,7,12-16,19,26-27H,6H2,(H2,22,23,24)/t12-,13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FJ2M0C
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	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	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453024 ((2R,3R,4S,5S)-2-(4-amino-5- fluoro-7H-pyrrolo[2,3-...) Show SMILES Nc1ncnc2n(cc(F)c12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H18ClFN4O4/c20-9-1-2-10-8(5-9)3-4-28-15(10)16-13(26)14(27)19(29-16)25-6-11(21)12-17(22)23-7-24-18(12)25/h1-2,5-7,13-16,19,26-27H,3-4H2,(H2,22,23,24)/t13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FJ2M0C
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453024 ((2R,3R,4S,5S)-2-(4-amino-5- fluoro-7H-pyrrolo[2,3-...) Show SMILES Nc1ncnc2n(cc(F)c12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H18ClFN4O4/c20-9-1-2-10-8(5-9)3-4-28-15(10)16-13(26)14(27)19(29-16)25-6-11(21)12-17(22)23-7-24-18(12)25/h1-2,5-7,13-16,19,26-27H,3-4H2,(H2,22,23,24)/t13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VR9
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453024 ((2R,3R,4S,5S)-2-(4-amino-5- fluoro-7H-pyrrolo[2,3-...) Show SMILES Nc1ncnc2n(cc(F)c12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C19H18ClFN4O4/c20-9-1-2-10-8(5-9)3-4-28-15(10)16-13(26)14(27)19(29-16)25-6-11(21)12-17(22)23-7-24-18(12)25/h1-2,5-7,13-16,19,26-27H,3-4H2,(H2,22,23,24)/t13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Prelude Therapeutics Incorporated US Patent					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				US Patent US10711007 (2020) BindingDB Entry DOI: 10.7270/Q2RR2286
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453028 ((2R,3R,4S,5S)-2-(4-amino- 7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)sc12 |r| Show InChI InChI=1S/C17H17ClN4O4S/c18-9-5-7-2-4-25-13(14(7)27-9)12-10(23)11(24)17(26-12)22-3-1-8-15(19)20-6-21-16(8)22/h1,3,5-6,10-13,17,23-24H,2,4H2,(H2,19,20,21)/t10-,11+,12-,13-,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Prelude Therapeutics Incorporated US Patent					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				US Patent US10711007 (2020) BindingDB Entry DOI: 10.7270/Q2RR2286
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453028 ((2R,3R,4S,5S)-2-(4-amino- 7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)sc12 |r| Show InChI InChI=1S/C17H17ClN4O4S/c18-9-5-7-2-4-25-13(14(7)27-9)12-10(23)11(24)17(26-12)22-3-1-8-15(19)20-6-21-16(8)22/h1,3,5-6,10-13,17,23-24H,2,4H2,(H2,19,20,21)/t10-,11+,12-,13-,17+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FJ2M0C
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453028 ((2R,3R,4S,5S)-2-(4-amino- 7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(Cl)sc12 |r| Show InChI InChI=1S/C17H17ClN4O4S/c18-9-5-7-2-4-25-13(14(7)27-9)12-10(23)11(24)17(26-12)22-3-1-8-15(19)20-6-21-16(8)22/h1,3,5-6,10-13,17,23-24H,2,4H2,(H2,19,20,21)/t10-,11+,12-,13-,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VR9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50609384 (CHEMBL5278614) Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\n1ccc2ccccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453015 ((2R,3R,4S,5S)-2-(4-amino-7H- pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2c(F)c(F)ccc12 |r| Show InChI InChI=1S/C19H18F2N4O4/c20-11-2-1-9-8(12(11)21)4-6-28-15(9)16-13(26)14(27)19(29-16)25-5-3-10-17(22)23-7-24-18(10)25/h1-3,5,7,13-16,19,26-27H,4,6H2,(H2,22,23,24)/t13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.82	n/a	n/a	n/a	n/a	n/a	n/a
Prelude Therapeutics Incorporated US Patent					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				US Patent US10711007 (2020) BindingDB Entry DOI: 10.7270/Q2RR2286
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM453015 ((2R,3R,4S,5S)-2-(4-amino-7H- pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2c(F)c(F)ccc12 |r| Show InChI InChI=1S/C19H18F2N4O4/c20-11-2-1-9-8(12(11)21)4-6-28-15(9)16-13(26)14(27)19(29-16)25-5-3-10-17(22)23-7-24-18(10)25/h1-3,5,7,13-16,19,26-27H,4,6H2,(H2,22,23,24)/t13-,14+,15+,16-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.82	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FJ2M0C
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 467 total )  |  Next  |  Last  >>

Jump to: