Compile Data Set for Download or QSAR

Found 522 hits with Last Name = 'cho' and Initial = 'jy'   

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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50173647 ((E)-4-(4-(methylamino)styryl)phenol | 4-(4-(methyl...) Show SMILES CNc1ccc(\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H15NO/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h2-11,16-17H,1H3/b3-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to amyloid beta (1-42) aggregates in human Alzheimer's disease brain sections				J Med Chem 55: 883-92 (2012) Article DOI: 10.1021/jm201400q BindingDB Entry DOI: 10.7270/Q2X92F5G
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239956 (CHEMBL4061792) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(O)=O |r| Show InChI InChI=1S/C25H27N3O5S2/c1-15(2)22(24(30)31)28-35(32,33)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-34-25-26-21-5-3-4-20(21)23(29)27-25/h6-13,15,22,28H,3-5,14H2,1-2H3,(H,30,31)(H,26,27,29)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239954 (CHEMBL4080520) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r| Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239957 (CHEMBL4089861) Show SMILES OC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C22H21N3O5S2/c26-20(27)12-23-32(29,30)17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-31-22-24-19-3-1-2-18(19)21(28)25-22/h4-11,23H,1-3,12-13H2,(H,26,27)(H,24,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50485236 (BAY-949172 | CHEBI:79033 | FLORBETABEN F18 | Florb...) Show SMILES CNc1ccc(\C=C\c2ccc(OCCOCCOCC[18F])cc2)cc1 Show InChI InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to amyloid beta (1-42) aggregates in human Alzheimer's disease brain sections				J Med Chem 55: 883-92 (2012) Article DOI: 10.1021/jm201400q BindingDB Entry DOI: 10.7270/Q2X92F5G
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239961 (CHEMBL4062836) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(O)=O |r| Show InChI InChI=1S/C25H27N3O5S2/c1-15(2)22(24(30)31)28-35(32,33)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-34-25-26-21-5-3-4-20(21)23(29)27-25/h6-13,15,22,28H,3-5,14H2,1-2H3,(H,30,31)(H,26,27,29)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50484946 ((18F)AV-45 | 18F-AV-45 | AV-45 F-18 | Amyvid | CHE...) Show SMILES CNc1ccc(\C=C\c2ccc(OCCOCCOCC[18F])nc2)cc1 Show InChI InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to amyloid beta (1-42) aggregates in human Alzheimer's disease brain sections				J Med Chem 55: 883-92 (2012) Article DOI: 10.1021/jm201400q BindingDB Entry DOI: 10.7270/Q2X92F5G
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239951 (CHEMBL4100008) Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C22H23N3O4S2/c26-13-12-23-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-24-20-3-1-2-19(20)21(27)25-22/h4-11,23,26H,1-3,12-14H2,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239952 (CHEMBL4081997) Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50361639 (CHEMBL1371684) Show SMILES Cc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50223787 (CHEMBL235088 | N-(5'-deoxy-alpha-D-thymidin-5'-yl)...) Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(Cl)c3)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C17H18Cl2N4O4S/c1-8-7-23(17(26)22-15(8)25)14-5-12(24)13(27-14)6-20-16(28)21-9-2-3-10(18)11(19)4-9/h2-4,7,12-14,24H,5-6H2,1H3,(H2,20,21,28)(H,22,25,26)/t12-,13+,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis thymidylate kinase				J Med Chem 55: 852-70 (2012) Article DOI: 10.1021/jm201349f BindingDB Entry DOI: 10.7270/Q2BZ66HV
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222640 (CHEMBL415543) Show SMILES COc1cc(CCCN(CCc2ccccc2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C27H32N2O2S/c1-31-26-21-24(14-15-25(26)30)13-8-19-29(20-17-23-11-6-3-7-12-23)27(32)28-18-16-22-9-4-2-5-10-22/h2-7,9-12,14-15,21,30H,8,13,16-20H2,1H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222640 (CHEMBL415543) Show SMILES COc1cc(CCCN(CCc2ccccc2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C27H32N2O2S/c1-31-26-21-24(14-15-25(26)30)13-8-19-29(20-17-23-11-6-3-7-12-23)27(32)28-18-16-22-9-4-2-5-10-22/h2-7,9-12,14-15,21,30H,8,13,16-20H2,1H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM546731 ((3-(5-chloro-2-((3-cyclopropyl-5-(((3R, 5S)-3,5-di...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3cn(c4cc(CO)ccc34)S(=O)(=O)c3ccc(C)cc3)cc(c2)C2CC2)C[C@@H](C)N1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476709 (2-((5-chloro-4-(6-methyl-1H-indole-3-yl)pyrimidine...) Show SMILES C[C@H]1CN(Cc2cc(cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)c2O)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6O/c1-16-4-7-22-23(11-31-25(22)8-16)27-24(30)12-32-29(35-27)34-26-10-20(19-5-6-19)9-21(28(26)37)15-36-13-17(2)33-18(3)14-36/h4,7-12,17-19,31,33,37H,5-6,13-15H2,1-3H3,(H,32,34,35)/t17-,18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476704 ( (3-(5-chloro-2-((3-cyclopropyl-5-(((3R,5S)-3,5-di...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(CO)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6O/c1-17-13-36(14-18(2)33-17)15-20-7-22(21-4-5-21)10-23(8-20)34-29-32-12-26(30)28(35-29)25-11-31-27-9-19(16-37)3-6-24(25)27/h3,6-12,17-18,21,31,33,37H,4-5,13-16H2,1-2H3,(H,32,34,35)/t17-,18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476709 (2-((5-chloro-4-(6-methyl-1H-indole-3-yl)pyrimidine...) Show SMILES C[C@H]1CN(Cc2cc(cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)c2O)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6O/c1-16-4-7-22-23(11-31-25(22)8-16)27-24(30)12-32-29(35-27)34-26-10-20(19-5-6-19)9-21(28(26)37)15-36-13-17(2)33-18(3)14-36/h4,7-12,17-19,31,33,37H,5-6,13-15H2,1-3H3,(H,32,34,35)/t17-,18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222695 (CHEMBL155433) Show SMILES COc1cc(CCCN(C(c2ccccc2)c2ccccc2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C32H34N2O2S/c1-36-30-24-26(19-20-29(30)35)14-11-23-34(32(37)33-22-21-25-12-5-2-6-13-25)31(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-20,24,31,35H,11,14,21-23H2,1H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222637 (CHEMBL154743) Show SMILES COc1cc(CCCN(CCc2ccc(cc2)[N+]([O-])=O)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C27H31N3O4S/c1-34-26-20-23(11-14-25(26)31)8-5-18-29(19-16-22-9-12-24(13-10-22)30(32)33)27(35)28-17-15-21-6-3-2-4-7-21/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,28,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476704 ( (3-(5-chloro-2-((3-cyclopropyl-5-(((3R,5S)-3,5-di...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(CO)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6O/c1-17-13-36(14-18(2)33-17)15-20-7-22(21-4-5-21)10-23(8-20)34-29-32-12-26(30)28(35-29)25-11-31-27-9-19(16-37)3-6-24(25)27/h3,6-12,17-18,21,31,33,37H,4-5,13-16H2,1-2H3,(H,32,34,35)/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM546731 ((3-(5-chloro-2-((3-cyclopropyl-5-(((3R, 5S)-3,5-di...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3cn(c4cc(CO)ccc34)S(=O)(=O)c3ccc(C)cc3)cc(c2)C2CC2)C[C@@H](C)N1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222696 (CHEMBL156041) Show SMILES COc1cc(CCCN(CCc2ccc(Cl)cc2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C27H31ClN2O2S/c1-32-26-20-23(11-14-25(26)31)8-5-18-30(19-16-22-9-12-24(28)13-10-22)27(33)29-17-15-21-6-3-2-4-7-21/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222635 (CHEMBL267205) Show SMILES COc1ccc(CCN(CCCc2ccc(O)c(OC)c2)C(\S)=N\CCc2ccccc2)cc1 Show InChI InChI=1S/C28H34N2O3S/c1-32-25-13-10-23(11-14-25)17-20-30(28(34)29-18-16-22-7-4-3-5-8-22)19-6-9-24-12-15-26(31)27(21-24)33-2/h3-5,7-8,10-15,21,31H,6,9,16-20H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222647 (CHEMBL154990) Show SMILES COc1cc(CCCN(CCc2ccc(C)cc2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C28H34N2O2S/c1-22-10-12-24(13-11-22)17-20-30(28(33)29-18-16-23-7-4-3-5-8-23)19-6-9-25-14-15-26(31)27(21-25)32-2/h3-5,7-8,10-15,21,31H,6,9,16-20H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222649 (CHEMBL155730) Show SMILES COc1cc(CCCN(Cc2ccccc2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C26H30N2O2S/c1-30-25-19-22(14-15-24(25)29)13-8-18-28(20-23-11-6-3-7-12-23)26(31)27-17-16-21-9-4-2-5-10-21/h2-7,9-12,14-15,19,29H,8,13,16-18,20H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476700 (5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethyl...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476700 (5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethyl...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476702 (N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethylpiperazin...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(F)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33FN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB NCI pathway Reactome pathway KEGG 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 The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476702 (N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethylpiperazin...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(F)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33FN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB NCI pathway Reactome pathway KEGG 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
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222641 (CHEMBL157962) Show SMILES COc1cc(CCCN(CCc2ccc(F)cc2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C27H31FN2O2S/c1-32-26-20-23(11-14-25(26)31)8-5-18-30(19-16-22-9-12-24(28)13-10-22)27(33)29-17-15-21-6-3-2-4-7-21/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476695 (5-chloro-4-(6-chloro-1H-indole-3-yl)-N-(3-cyclopro...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(Cl)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C28H30Cl2N6/c1-16-13-36(14-17(2)33-16)15-18-7-20(19-3-4-19)9-22(8-18)34-28-32-12-25(30)27(35-28)24-11-31-26-10-21(29)5-6-23(24)26/h5-12,16-17,19,31,33H,3-4,13-15H2,1-2H3,(H,32,34,35)/t16-,17+	PDB MMDB NCI pathway Reactome pathway KEGG 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 The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476695 (5-chloro-4-(6-chloro-1H-indole-3-yl)-N-(3-cyclopro...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(Cl)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C28H30Cl2N6/c1-16-13-36(14-17(2)33-16)15-18-7-20(19-3-4-19)9-22(8-18)34-28-32-12-25(30)27(35-28)24-11-31-26-10-21(29)5-6-23(24)26/h5-12,16-17,19,31,33H,3-4,13-15H2,1-2H3,(H,32,34,35)/t16-,17+	PDB MMDB NCI pathway Reactome pathway KEGG 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
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476711 ( ((2R,6R)-4-(3-((5-chloro-4-(6-methyl-1H-indole-3-...) Show SMILES C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@H](CO)N1 Show InChI InChI=1S/C29H33ClN6O/c1-17-3-6-24-25(11-31-27(24)7-17)28-26(30)12-32-29(35-28)34-22-9-19(8-21(10-22)20-4-5-20)14-36-13-18(2)33-23(15-36)16-37/h3,6-12,18,20,23,31,33,37H,4-5,13-16H2,1-2H3,(H,32,34,35)/t18-,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG 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 The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476711 ( ((2R,6R)-4-(3-((5-chloro-4-(6-methyl-1H-indole-3-...) Show SMILES C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@H](CO)N1 Show InChI InChI=1S/C29H33ClN6O/c1-17-3-6-24-25(11-31-27(24)7-17)28-26(30)12-32-29(35-28)34-22-9-19(8-21(10-22)20-4-5-20)14-36-13-18(2)33-23(15-36)16-37/h3,6-12,18,20,23,31,33,37H,4-5,13-16H2,1-2H3,(H,32,34,35)/t18-,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG 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
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239957 (CHEMBL4089861) Show SMILES OC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C22H21N3O5S2/c26-20(27)12-23-32(29,30)17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-31-22-24-19-3-1-2-18(19)21(28)25-22/h4-11,23H,1-3,12-13H2,(H,26,27)(H,24,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476699 ((R)-5-chloro-N-(3-cyclopropyl-5-((3-methylpiperazi...) Show SMILES C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4ccccc34)cc(c2)C2CC2)CCN1 Show InChI InChI=1S/C27H29ClN6/c1-17-15-34(9-8-29-17)16-18-10-20(19-6-7-19)12-21(11-18)32-27-31-14-24(28)26(33-27)23-13-30-25-5-3-2-4-22(23)25/h2-5,10-14,17,19,29-30H,6-9,15-16H2,1H3,(H,31,32,33)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476700 (5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethyl...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476700 (5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethyl...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476699 ((R)-5-chloro-N-(3-cyclopropyl-5-((3-methylpiperazi...) Show SMILES C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4ccccc34)cc(c2)C2CC2)CCN1 Show InChI InChI=1S/C27H29ClN6/c1-17-15-34(9-8-29-17)16-18-10-20(19-6-7-19)12-21(11-18)32-27-31-14-24(28)26(33-27)23-13-30-25-5-3-2-4-22(23)25/h2-5,10-14,17,19,29-30H,6-9,15-16H2,1H3,(H,31,32,33)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476695 (5-chloro-4-(6-chloro-1H-indole-3-yl)-N-(3-cyclopro...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(Cl)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C28H30Cl2N6/c1-16-13-36(14-17(2)33-16)15-18-7-20(19-3-4-19)9-22(8-18)34-28-32-12-25(30)27(35-28)24-11-31-26-10-21(29)5-6-23(24)26/h5-12,16-17,19,31,33H,3-4,13-15H2,1-2H3,(H,32,34,35)/t16-,17+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476695 (5-chloro-4-(6-chloro-1H-indole-3-yl)-N-(3-cyclopro...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(Cl)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C28H30Cl2N6/c1-16-13-36(14-17(2)33-16)15-18-7-20(19-3-4-19)9-22(8-18)34-28-32-12-25(30)27(35-28)24-11-31-26-10-21(29)5-6-23(24)26/h5-12,16-17,19,31,33H,3-4,13-15H2,1-2H3,(H,32,34,35)/t16-,17+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239961 (CHEMBL4062836) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(O)=O |r| Show InChI InChI=1S/C25H27N3O5S2/c1-15(2)22(24(30)31)28-35(32,33)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-34-25-26-21-5-3-4-20(21)23(29)27-25/h6-13,15,22,28H,3-5,14H2,1-2H3,(H,30,31)(H,26,27,29)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476710 ((R)-5-chloro-N-(3-cyclopropyl-5-((3,3,5-trimethylp...) Show SMILES C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)CC(C)(C)N1 Show InChI InChI=1S/C30H35ClN6/c1-18-5-8-24-25(13-32-27(24)9-18)28-26(31)14-33-29(35-28)34-23-11-20(10-22(12-23)21-6-7-21)16-37-15-19(2)36-30(3,4)17-37/h5,8-14,19,21,32,36H,6-7,15-17H2,1-4H3,(H,33,34,35)/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476710 ((R)-5-chloro-N-(3-cyclopropyl-5-((3,3,5-trimethylp...) Show SMILES C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)CC(C)(C)N1 Show InChI InChI=1S/C30H35ClN6/c1-18-5-8-24-25(13-32-27(24)9-18)28-26(31)14-33-29(35-28)34-23-11-20(10-22(12-23)21-6-7-21)16-37-15-19(2)36-30(3,4)17-37/h5,8-14,19,21,32,36H,6-7,15-17H2,1-4H3,(H,33,34,35)/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476711 ( ((2R,6R)-4-(3-((5-chloro-4-(6-methyl-1H-indole-3-...) Show SMILES C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@H](CO)N1 Show InChI InChI=1S/C29H33ClN6O/c1-17-3-6-24-25(11-31-27(24)7-17)28-26(30)12-32-29(35-28)34-22-9-19(8-21(10-22)20-4-5-20)14-36-13-18(2)33-23(15-36)16-37/h3,6-12,18,20,23,31,33,37H,4-5,13-16H2,1-2H3,(H,32,34,35)/t18-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476711 ( ((2R,6R)-4-(3-((5-chloro-4-(6-methyl-1H-indole-3-...) Show SMILES C[C@@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@H](CO)N1 Show InChI InChI=1S/C29H33ClN6O/c1-17-3-6-24-25(11-31-27(24)7-17)28-26(30)12-32-29(35-28)34-22-9-19(8-21(10-22)20-4-5-20)14-36-13-18(2)33-23(15-36)16-37/h3,6-12,18,20,23,31,33,37H,4-5,13-16H2,1-2H3,(H,32,34,35)/t18-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476708 (3-(5-chloro-2-((3-cyclopropyl-5-(((3R,5S)-3,5-dime...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4c(O)c(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6O/c1-16-4-7-23-24(11-31-27(23)28(16)37)26-25(30)12-32-29(35-26)34-22-9-19(8-21(10-22)20-5-6-20)15-36-13-17(2)33-18(3)14-36/h4,7-12,17-18,20,31,33,37H,5-6,13-15H2,1-3H3,(H,32,34,35)/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222638 (CHEMBL422702) Show SMILES COc1cc(CCCN(CCc2ccccc2)C(\S)=N\CCc2ccc(Cl)cc2)ccc1O Show InChI InChI=1S/C27H31ClN2O2S/c1-32-26-20-23(11-14-25(26)31)8-5-18-30(19-16-21-6-3-2-4-7-21)27(33)29-17-15-22-9-12-24(28)13-10-22/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476708 (3-(5-chloro-2-((3-cyclopropyl-5-(((3R,5S)-3,5-dime...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4c(O)c(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33ClN6O/c1-16-4-7-23-24(11-31-27(23)28(16)37)26-25(30)12-32-29(35-26)34-22-9-19(8-21(10-22)20-5-6-20)15-36-13-17(2)33-18(3)14-36/h4,7-12,17-18,20,31,33,37H,5-6,13-15H2,1-3H3,(H,32,34,35)/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
HANMI PHARM. CO.. LTD. US Patent					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...				US Patent US10870639 (2020) BindingDB Entry DOI: 10.7270/Q20G3P70
					More data for this Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM476702 (N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethylpiperazin...) Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(F)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1 Show InChI InChI=1S/C29H33FN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KQ4
					More data for this Ligand-Target Pair

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