Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50001869   

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
Myosin-4 (Oryctolagus cuniculus)	BDBM50449472 (CHEBI:75379 | CHEMBL1328324) Show SMILES Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 |t:5| Show InChI InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle myosin 2				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Myosin-4 (Oryctolagus cuniculus)	BDBM50449475 (CHEMBL4162111) Show SMILES Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccc(cc1)[N+]([O-])=O |r,t:5| Show InChI InChI=1S/C18H15N3O4/c1-11-2-7-15-14(10-11)16(22)18(23)8-9-20(17(18)19-15)12-3-5-13(6-4-12)21(24)25/h2-7,10,23H,8-9H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle myosin 2				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Myosin-7 (Sus scrofa)	BDBM50449472 (CHEBI:75379 | CHEMBL1328324) Show SMILES Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 |t:5| Show InChI InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of pig beta cardiac myosin 2 by NADH-coupled spectrophotometric analysis				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Nonmuscle myosin heavy chain (Gallus gallus)	BDBM50449472 (CHEBI:75379 | CHEMBL1328324) Show SMILES Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 |t:5| Show InChI InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of chicken non-muscle myosin 2b by NADH-coupled spectrophotometric analysis				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Myosin-2 heavy chain (Dictyostelium discoideum)	BDBM50449473 (CHEMBL4165503) Show SMILES Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C18H15ClN2O2/c1-11-2-7-15-14(10-11)16(22)18(23)8-9-21(17(18)20-15)13-5-3-12(19)4-6-13/h2-7,10,23H,8-9H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of Dictyostelium discoideum myosin 2 ATPase activity				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Myosin-2 heavy chain (Dictyostelium discoideum)	BDBM50449475 (CHEMBL4162111) Show SMILES Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccc(cc1)[N+]([O-])=O |r,t:5| Show InChI InChI=1S/C18H15N3O4/c1-11-2-7-15-14(10-11)16(22)18(23)8-9-20(17(18)19-15)12-3-5-13(6-4-12)21(24)25/h2-7,10,23H,8-9H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of Dictyostelium discoideum myosin 2 ATPase activity by NADH-coupled assay				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Myosin-14 (Mus musculus)	BDBM50449472 (CHEBI:75379 | CHEMBL1328324) Show SMILES Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 |t:5| Show InChI InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of mouse non-muscle myosin 2c				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Myosin-9 (Homo sapiens)	BDBM50449472 (CHEBI:75379 | CHEMBL1328324) Show SMILES Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 |t:5| Show InChI InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of human non-muscle myosin 2a				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Myosin-10 (Homo sapiens)	BDBM50449472 (CHEBI:75379 | CHEMBL1328324) Show SMILES Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 |t:5| Show InChI InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of human non-muscle myosin 2b				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Myosin-2 heavy chain (Dictyostelium discoideum)	BDBM50449472 (CHEBI:75379 | CHEMBL1328324) Show SMILES Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 |t:5| Show InChI InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of RLC-phosphorylated Dictyostelium discoideum myosin 2 ATPase activity by NADH-coupled spectrophotometric analysis				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Myosin-2 heavy chain (Dictyostelium discoideum)	BDBM50449474 (CHEMBL4166562) Show SMILES Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccc(cc1)N=[N+]=[N-] |r,t:5| Show InChI InChI=1S/C18H15N5O2/c1-11-2-7-15-14(10-11)16(24)18(25)8-9-23(17(18)20-15)13-5-3-12(4-6-13)21-22-19/h2-7,10,25H,8-9H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of Dictyostelium discoideum myosin 2 ATPase activity by NADH-coupled assay				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Myosin-2 (Homo sapiens)	BDBM50449476 (CHEMBL4168922) Show SMILES O[C@@]12CCN(C1=Nc1cc(ccc1C2=O)[N+]([O-])=O)c1ccccc1 |r,c:6| Show InChI InChI=1S/C17H13N3O4/c21-15-13-7-6-12(20(23)24)10-14(13)18-16-17(15,22)8-9-19(16)11-4-2-1-3-5-11/h1-7,10,22H,8-9H2/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of human myosin 2a ATPase activity				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Myosin-2 heavy chain, non muscle (Acanthamoeba castellanii)	BDBM50449472 (CHEBI:75379 | CHEMBL1328324) Show SMILES Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 |t:5| Show InChI InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of dephosphorylated Acanthamoeba non muscle myosin 2 by NADH-coupled spectrophotometric analysis				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Unconventional myosin-XV (Homo sapiens)	BDBM50449472 (CHEBI:75379 | CHEMBL1328324) Show SMILES Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 |t:5| Show InChI InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of human myosin 15 by NADH-coupled spectrophotometric analysis				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Unconventional myosin-Ib (Rattus norvegicus)	BDBM50449472 (CHEBI:75379 | CHEMBL1328324) Show SMILES Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 |t:5| Show InChI InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of rat myosin 1b by NADH-coupled spectrophotometric analysis				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Myosin IC heavy chain (Acanthamoeba castellanii)	BDBM50449472 (CHEBI:75379 | CHEMBL1328324) Show SMILES Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 |t:5| Show InChI InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of dephosphorylated Acanthamoeba muscle myosin 1c by NADH-coupled spectrophotometric analysis				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Unconventional myosin-Va (Mus musculus)	BDBM50449472 (CHEBI:75379 | CHEMBL1328324) Show SMILES Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 |t:5| Show InChI InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of mouse myosin 5a by NADH-coupled spectrophotometric analysis				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Unconventional myosin-X (Bos taurus)	BDBM50449472 (CHEBI:75379 | CHEMBL1328324) Show SMILES Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 |t:5| Show InChI InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of bovine myosin x by NADH-coupled spectrophotometric analysis				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair
Myosin heavy chain, non-muscle (Drosophila melanogaster)	BDBM50449472 (CHEBI:75379 | CHEMBL1328324) Show SMILES Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 |t:5| Show InChI InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of fruit fly non-muscle myosin 2				J Med Chem 61: 9410-9428 (2018) Article DOI: 10.1021/acs.jmedchem.8b00503 BindingDB Entry DOI: 10.7270/Q2TX3HXT
					More data for this Ligand-Target Pair