Compile Data Set for Download or QSAR

Found 331 hits with Last Name = 'duan' and Initial = 'a'   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223091 (2-(Dimethylamino)ethyl 4-(6-((5-((2-chloro-6-methy...) Show SMILES CN(C)CCOC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C25H31ClN8O3S/c1-16-6-5-7-18(26)22(16)31-23(35)19-15-27-24(38-19)30-20-14-21(29-17(2)28-20)33-8-10-34(11-9-33)25(36)37-13-12-32(3)4/h5-7,14-15H,8-13H2,1-4H3,(H,31,35)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.105	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	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	DrugBank PDB Article PubMed	n/a	n/a	0.138	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223081 (Methyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoy...) Show SMILES COC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C22H24ClN7O3S/c1-13-5-4-6-15(23)19(13)28-20(31)16-12-24-21(34-16)27-17-11-18(26-14(2)25-17)29-7-9-30(10-8-29)22(32)33-3/h4-6,11-12H,7-10H2,1-3H3,(H,28,31)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.152	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223082 (Ethyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoyl...) Show SMILES CCOC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C23H26ClN7O3S/c1-4-34-23(33)31-10-8-30(9-11-31)19-12-18(26-15(3)27-19)28-22-25-13-17(35-22)21(32)29-20-14(2)6-5-7-16(20)24/h5-7,12-13H,4,8-11H2,1-3H3,(H,29,32)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.175	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223092 (2-((6-(4-Acryloylpiperazin-1-yl)-2-methylpyrimidin...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)C=C Show InChI InChI=1S/C23H24ClN7O2S/c1-4-20(32)31-10-8-30(9-11-31)19-12-18(26-15(3)27-19)28-23-25-13-17(34-23)22(33)29-21-14(2)6-5-7-16(21)24/h4-7,12-13H,1,8-11H2,2-3H3,(H,29,33)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.178	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223090 (2-Morpholinoethyl 4-(6-((5-((2-chloro-6-methylphen...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCCN1CCOCC1 Show InChI InChI=1S/C27H33ClN8O4S/c1-18-4-3-5-20(28)24(18)33-25(37)21-17-29-26(41-21)32-22-16-23(31-19(2)30-22)35-6-8-36(9-7-35)27(38)40-15-12-34-10-13-39-14-11-34/h3-5,16-17H,6-15H2,1-2H3,(H,33,37)(H,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.179	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223093 ((E)-2-((6-(4-(but-2-enoyl)piperazin-1-yl)-2-methyl...) Show SMILES C\C=C\C(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C24H26ClN7O2S/c1-4-6-21(33)32-11-9-31(10-12-32)20-13-19(27-16(3)28-20)29-24-26-14-18(35-24)23(34)30-22-15(2)7-5-8-17(22)25/h4-8,13-14H,9-12H2,1-3H3,(H,30,34)(H,26,27,28,29)/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.191	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223097 (Allyl 3-(6-((5-((2-chloro-6-methylphenyl)carbamoyl...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)C1CCN(C1)C(=O)OCC=C Show InChI InChI=1S/C24H25ClN6O3S/c1-4-10-34-24(33)31-9-8-16(13-31)18-11-20(28-15(3)27-18)29-23-26-12-19(35-23)22(32)30-21-14(2)6-5-7-17(21)25/h4-7,11-12,16H,1,8-10,13H2,2-3H3,(H,30,32)(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.198	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223085 (Butyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoyl...) Show SMILES CCCCOC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C25H30ClN7O3S/c1-4-5-13-36-25(35)33-11-9-32(10-12-33)21-14-20(28-17(3)29-21)30-24-27-15-19(37-24)23(34)31-22-16(2)7-6-8-18(22)26/h6-8,14-15H,4-5,9-13H2,1-3H3,(H,31,34)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.201	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223104 (2-((6-((1-Acryloylpyrrolidin-3-yl)amino)-2-methylp...) Show SMILES Cc1nc(NC2CCN(C2)C(=O)C=C)cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)n1 Show InChI InChI=1S/C23H24ClN7O2S/c1-4-20(32)31-9-8-15(12-31)28-18-10-19(27-14(3)26-18)29-23-25-11-17(34-23)22(33)30-21-13(2)6-5-7-16(21)24/h4-7,10-11,15H,1,8-9,12H2,2-3H3,(H,30,33)(H2,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.205	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223094 (Methyl 3-(6-((5-((2-chloro-6-methylphenyl)carbamoy...) Show SMILES COC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C22H23ClN6O3S/c1-12-5-4-6-15(23)19(12)28-20(30)17-10-24-21(33-17)27-18-9-16(25-13(2)26-18)14-7-8-29(11-14)22(31)32-3/h4-6,9-10,14H,7-8,11H2,1-3H3,(H,28,30)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.233	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223084 (Allyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoyl...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCC=C Show InChI InChI=1S/C24H26ClN7O3S/c1-4-12-35-24(34)32-10-8-31(9-11-32)20-13-19(27-16(3)28-20)29-23-26-14-18(36-23)22(33)30-21-15(2)6-5-7-17(21)25/h4-7,13-14H,1,8-12H2,2-3H3,(H,30,33)(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.235	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223083 (Isopropyl 4-(6-((5-((2-chloro-6-methylphenyl)carba...) Show SMILES CC(C)OC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C24H28ClN7O3S/c1-14(2)35-24(34)32-10-8-31(9-11-32)20-12-19(27-16(4)28-20)29-23-26-13-18(36-23)22(33)30-21-15(3)6-5-7-17(21)25/h5-7,12-14H,8-11H2,1-4H3,(H,30,33)(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.241	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223105 (N-(2-chloro-6-methylphenyl)-2-((2-methyl-6-((1-pro...) Show SMILES CCC(=O)N1CCC(C1)Nc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C23H26ClN7O2S/c1-4-20(32)31-9-8-15(12-31)28-18-10-19(27-14(3)26-18)29-23-25-11-17(34-23)22(33)30-21-13(2)6-5-7-16(21)24/h5-7,10-11,15H,4,8-9,12H2,1-3H3,(H,30,33)(H2,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.243	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223089 (2-Chloroethyl 4-(6-((5-((2-chloro-6-methylphenyl)c...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCCCl Show InChI InChI=1S/C23H25Cl2N7O3S/c1-14-4-3-5-16(25)20(14)30-21(33)17-13-26-22(36-17)29-18-12-19(28-15(2)27-18)31-7-9-32(10-8-31)23(34)35-11-6-24/h3-5,12-13H,6-11H2,1-2H3,(H,30,33)(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.248	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223095 (Ethyl 3-(6-((5-((2-chloro-6-methylphenyl)carbamoyl...) Show SMILES CCOC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C23H25ClN6O3S/c1-4-33-23(32)30-9-8-15(12-30)17-10-19(27-14(3)26-17)28-22-25-11-18(34-22)21(31)29-20-13(2)6-5-7-16(20)24/h5-7,10-11,15H,4,8-9,12H2,1-3H3,(H,29,31)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.249	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223087 (Phenyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoy...) Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CC2)C(=O)Oc2ccccc2)s1 Show InChI InChI=1S/C27H26ClN7O3S/c1-17-7-6-10-20(28)24(17)33-25(36)21-16-29-26(39-21)32-22-15-23(31-18(2)30-22)34-11-13-35(14-12-34)27(37)38-19-8-4-3-5-9-19/h3-10,15-16H,11-14H2,1-2H3,(H,33,36)(H,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.277	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223102 (N-(2-chloro-6-methylphenyl)-2-((2-methyl-6-((1-(me...) Show SMILES Cc1nc(NC2CCN(C2)S(C)(=O)=O)cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)n1 Show InChI InChI=1S/C21H24ClN7O3S2/c1-12-5-4-6-15(22)19(12)28-20(30)16-10-23-21(33-16)27-18-9-17(24-13(2)25-18)26-14-7-8-29(11-14)34(3,31)32/h4-6,9-10,14H,7-8,11H2,1-3H3,(H,28,30)(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.293	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223086 (Isobutyl 4-(6-((5-((2-chloro-6-methylphenyl)carbam...) Show SMILES CC(C)COC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C25H30ClN7O3S/c1-15(2)14-36-25(35)33-10-8-32(9-11-33)21-12-20(28-17(4)29-21)30-24-27-13-19(37-24)23(34)31-22-16(3)6-5-7-18(22)26/h5-7,12-13,15H,8-11,14H2,1-4H3,(H,31,34)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223096 (Isopropyl 3-(6-((5-((2-chloro-6-methylphenyl)carba...) Show SMILES CC(C)OC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C24H27ClN6O3S/c1-13(2)34-24(33)31-9-8-16(12-31)18-10-20(28-15(4)27-18)29-23-26-11-19(35-23)22(32)30-21-14(3)6-5-7-17(21)25/h5-7,10-11,13,16H,8-9,12H2,1-4H3,(H,30,32)(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.499	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223100 (Phenyl 3-(6-((5-((2-chloro-6-methylphenyl)carbamoy...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)C1CCN(C1)C(=O)Oc1ccccc1 Show InChI InChI=1S/C27H25ClN6O3S/c1-16-7-6-10-20(28)24(16)33-25(35)22-14-29-26(38-22)32-23-13-21(30-17(2)31-23)18-11-12-34(15-18)27(36)37-19-8-4-3-5-9-19/h3-10,13-14,18H,11-12,15H2,1-2H3,(H,33,35)(H,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223099 (Isobutyl 3-(6-((5-((2-chloro-6-methylphenyl)carbam...) Show SMILES CC(C)COC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C25H29ClN6O3S/c1-14(2)13-35-25(34)32-9-8-17(12-32)19-10-21(29-16(4)28-19)30-24-27-11-20(36-24)23(33)31-22-15(3)6-5-7-18(22)26/h5-7,10-11,14,17H,8-9,12-13H2,1-4H3,(H,31,33)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.602	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223088 (Benzyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoy...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C28H28ClN7O3S/c1-18-7-6-10-21(29)25(18)34-26(37)22-16-30-27(40-22)33-23-15-24(32-19(2)31-23)35-11-13-36(14-12-35)28(38)39-17-20-8-4-3-5-9-20/h3-10,15-16H,11-14,17H2,1-2H3,(H,34,37)(H,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.617	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223098 (Butyl 3-(6-((5-((2-chloro-6-methylphenyl)carbamoyl...) Show SMILES CCCCOC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C25H29ClN6O3S/c1-4-5-11-35-25(34)32-10-9-17(14-32)19-12-21(29-16(3)28-19)30-24-27-13-20(36-24)23(33)31-22-15(2)7-6-8-18(22)26/h6-8,12-13,17H,4-5,9-11,14H2,1-3H3,(H,31,33)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.661	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223101 (Benzyl 3-(6-((5-((2-chloro-6-methylphenyl)carbamoy...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)C1CCN(C1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C28H27ClN6O3S/c1-17-7-6-10-21(29)25(17)34-26(36)23-14-30-27(39-23)33-24-13-22(31-18(2)32-24)20-11-12-35(15-20)28(37)38-16-19-8-4-3-5-9-19/h3-10,13-14,20H,11-12,15-16H2,1-2H3,(H,34,36)(H,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM223103 (N-(2-chloro-6-methylphenyl)-2-((6-((1-(ethylsulfon...) Show SMILES CCS(=O)(=O)N1CCC(C1)Nc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C22H26ClN7O3S2/c1-4-35(32,33)30-9-8-15(12-30)27-18-10-19(26-14(3)25-18)28-22-24-11-17(34-22)21(31)29-20-13(2)6-5-7-16(20)23/h5-7,10-11,15H,4,8-9,12H2,1-3H3,(H,29,31)(H2,24,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM223090 (2-Morpholinoethyl 4-(6-((5-((2-chloro-6-methylphen...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCCN1CCOCC1 Show InChI InChI=1S/C27H33ClN8O4S/c1-18-4-3-5-20(28)24(18)33-25(37)21-17-29-26(41-21)32-22-16-23(31-19(2)30-22)35-6-8-36(9-7-35)27(38)40-15-12-34-10-13-39-14-11-34/h3-5,16-17H,6-15H2,1-2H3,(H,33,37)(H,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.26	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a LanthaScreen Eu kinase activity assay technology (Invitrogen, Carlsbad...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50429747 (CHEMBL69803) Show SMILES Oc1ccc(NC(=O)\C=C\c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C15H13NO4/c17-12-5-3-11(4-6-12)16-15(20)8-2-10-1-7-13(18)14(19)9-10/h1-9,17-19H,(H,16,20)/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM223091 (2-(Dimethylamino)ethyl 4-(6-((5-((2-chloro-6-methy...) Show SMILES CN(C)CCOC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C25H31ClN8O3S/c1-16-6-5-7-18(26)22(16)31-23(35)19-15-27-24(38-19)30-20-14-21(29-17(2)28-20)33-8-10-34(11-9-33)25(36)37-13-12-32(3)4/h5-7,14-15H,8-13H2,1-4H3,(H,31,35)(H,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.56	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a LanthaScreen Eu kinase activity assay technology (Invitrogen, Carlsbad...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM223082 (Ethyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoyl...) Show SMILES CCOC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C23H26ClN7O3S/c1-4-34-23(33)31-10-8-30(9-11-31)19-12-18(26-15(3)27-19)28-22-25-13-17(35-22)21(32)29-20-14(2)6-5-7-16(20)24/h5-7,12-13H,4,8-11H2,1-3H3,(H,29,32)(H,25,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.15	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a LanthaScreen Eu kinase activity assay technology (Invitrogen, Carlsbad...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM223085 (Butyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoyl...) Show SMILES CCCCOC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C25H30ClN7O3S/c1-4-5-13-36-25(35)33-11-9-32(10-12-33)21-14-20(28-17(3)29-21)30-24-27-15-19(37-24)23(34)31-22-16(2)7-6-8-18(22)26/h6-8,14-15H,4-5,9-13H2,1-3H3,(H,31,34)(H,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a LanthaScreen Eu kinase activity assay technology (Invitrogen, Carlsbad...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50429747 (CHEMBL69803) Show SMILES Oc1ccc(NC(=O)\C=C\c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C15H13NO4/c17-12-5-3-11(4-6-12)16-15(20)8-2-10-1-7-13(18)14(19)9-10/h1-9,17-19H,(H,16,20)/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50429744 (CHEMBL1163455) Show SMILES COc1ccc(NC(=O)\C=C\c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C16H15NO4/c1-21-13-6-4-12(5-7-13)17-16(20)9-3-11-2-8-14(18)15(19)10-11/h2-10,18-19H,1H3,(H,17,20)/b9-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50429744 (CHEMBL1163455) Show SMILES COc1ccc(NC(=O)\C=C\c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C16H15NO4/c1-21-13-6-4-12(5-7-13)17-16(20)9-3-11-2-8-14(18)15(19)10-11/h2-10,18-19H,1H3,(H,17,20)/b9-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50429729 (CHEMBL2336779) Show SMILES Oc1ccc(NC(=O)\C=C\c2cccc(O)c2)cc1 Show InChI InChI=1S/C15H13NO3/c17-13-7-5-12(6-8-13)16-15(19)9-4-11-2-1-3-14(18)10-11/h1-10,17-18H,(H,16,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50429726 (CHEMBL2336782) Show SMILES COc1ccc(NC(=O)\C=C\c2cccc(O)c2)cc1 Show InChI InChI=1S/C16H15NO3/c1-20-15-8-6-13(7-9-15)17-16(19)10-5-12-3-2-4-14(18)11-12/h2-11,18H,1H3,(H,17,19)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50429723 (CHEMBL2336785) Show SMILES Cc1ccc(NC(=O)\C=C\c2cccc(O)c2)cc1 Show InChI InChI=1S/C16H15NO2/c1-12-5-8-14(9-6-12)17-16(19)10-7-13-3-2-4-15(18)11-13/h2-11,18H,1H3,(H,17,19)/b10-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50429741 (CHEMBL1165106) Show SMILES Cc1ccc(NC(=O)\C=C\c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C16H15NO3/c1-11-2-6-13(7-3-11)17-16(20)9-5-12-4-8-14(18)15(19)10-12/h2-10,18-19H,1H3,(H,17,20)/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50429741 (CHEMBL1165106) Show SMILES Cc1ccc(NC(=O)\C=C\c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C16H15NO3/c1-11-2-6-13(7-3-11)17-16(20)9-5-12-4-8-14(18)15(19)10-12/h2-10,18-19H,1H3,(H,17,20)/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50429769 (CHEMBL2336340) Show SMILES Oc1ccc(NC(=O)\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H13NO3/c17-13-6-1-11(2-7-13)3-10-15(19)16-12-4-8-14(18)9-5-12/h1-10,17-18H,(H,16,19)/b10-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50429766 (CHEMBL2336343) Show SMILES COc1ccc(NC(=O)\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H15NO3/c1-20-15-9-5-13(6-10-15)17-16(19)11-4-12-2-7-14(18)8-3-12/h2-11,18H,1H3,(H,17,19)/b11-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50429729 (CHEMBL2336779) Show SMILES Oc1ccc(NC(=O)\C=C\c2cccc(O)c2)cc1 Show InChI InChI=1S/C15H13NO3/c17-13-7-5-12(6-8-13)16-15(19)9-4-11-2-1-3-14(18)10-11/h1-10,17-18H,(H,16,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50429782 (CHEMBL2336346) Show SMILES Cc1ccc(NC(=O)\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H15NO2/c1-12-2-7-14(8-3-12)17-16(19)11-6-13-4-9-15(18)10-5-13/h2-11,18H,1H3,(H,17,19)/b11-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM223089 (2-Chloroethyl 4-(6-((5-((2-chloro-6-methylphenyl)c...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCCCl Show InChI InChI=1S/C23H25Cl2N7O3S/c1-14-4-3-5-16(25)20(14)30-21(33)17-13-26-22(36-17)29-18-12-19(28-15(2)27-18)31-7-9-32(10-8-31)23(34)35-11-6-24/h3-5,12-13H,6-11H2,1-2H3,(H,30,33)(H,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.21	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a LanthaScreen Eu kinase activity assay technology (Invitrogen, Carlsbad...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM223093 ((E)-2-((6-(4-(but-2-enoyl)piperazin-1-yl)-2-methyl...) Show SMILES C\C=C\C(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C24H26ClN7O2S/c1-4-6-21(33)32-11-9-31(10-12-32)20-13-19(27-16(3)28-20)29-24-26-14-18(35-24)23(34)30-22-15(2)7-5-8-17(22)25/h4-8,13-14H,9-12H2,1-3H3,(H,30,34)(H,26,27,28,29)/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.25	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a LanthaScreen Eu kinase activity assay technology (Invitrogen, Carlsbad...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50429766 (CHEMBL2336343) Show SMILES COc1ccc(NC(=O)\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H15NO3/c1-20-15-9-5-13(6-10-15)17-16(19)11-4-12-2-7-14(18)8-3-12/h2-11,18H,1H3,(H,17,19)/b11-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50429726 (CHEMBL2336782) Show SMILES COc1ccc(NC(=O)\C=C\c2cccc(O)c2)cc1 Show InChI InChI=1S/C16H15NO3/c1-20-15-8-6-13(7-9-15)17-16(19)10-5-12-3-2-4-14(18)11-12/h2-11,18H,1H3,(H,17,19)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50429769 (CHEMBL2336340) Show SMILES Oc1ccc(NC(=O)\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H13NO3/c17-13-6-1-11(2-7-13)3-10-15(19)16-12-4-8-14(18)9-5-12/h1-10,17-18H,(H,16,19)/b10-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM223081 (Methyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoy...) Show SMILES COC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C22H24ClN7O3S/c1-13-5-4-6-15(23)19(13)28-20(31)16-12-24-21(34-16)27-17-11-18(26-14(2)25-17)29-7-9-30(10-8-29)22(32)33-3/h4-6,11-12H,7-10H2,1-3H3,(H,28,31)(H,24,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.32	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a LanthaScreen Eu kinase activity assay technology (Invitrogen, Carlsbad...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50429782 (CHEMBL2336346) Show SMILES Cc1ccc(NC(=O)\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H15NO2/c1-12-2-7-14(8-3-12)17-16(19)11-6-13-4-9-15(18)10-5-13/h2-11,18H,1H3,(H,17,19)/b11-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins				Bioorg Med Chem Lett 23: 1206-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.027 BindingDB Entry DOI: 10.7270/Q2H996JF
					More data for this Ligand-Target Pair

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