Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50030768   

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
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50258790 ((S)-2-amino-N-(3-(5-(5-(benzo[d]thiazol-7-yl)-1,3,...) Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2ncsc12)C(F)(F)F |r| Show InChI InChI=1S/C23H18F3N7O2S/c1-12(27)20(34)28-10-13-4-2-5-14(8-13)33-17(9-18(32-33)23(24,25)26)22-31-30-21(35-22)15-6-3-7-16-19(15)36-11-29-16/h2-9,11-12H,10,27H2,1H3,(H,28,34)/t12-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CARM1 assessed as inhibition of histone3 methylation				Bioorg Med Chem Lett 19: 5063-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.040 BindingDB Entry DOI: 10.7270/Q2KW5G3W
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50301077 (2-(4-(2-(2,6-dimethoxyphenyl)-7-methyl-1H-benzo[d]...) Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(OC)cccc1OC Show InChI InChI=1S/C24H32N4O2/c1-16-14-18(17-8-11-28(12-9-17)13-10-25-2)15-19-23(16)27-24(26-19)22-20(29-3)6-5-7-21(22)30-4/h5-7,14-15,17,25H,8-13H2,1-4H3,(H,26,27)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CARM1 assessed as inhibition of histone3 methylation				Bioorg Med Chem Lett 19: 5063-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.040 BindingDB Entry DOI: 10.7270/Q2KW5G3W
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50301079 (2-(4-(2-(2-fluoro-6-methoxyphenyl)-7-methyl-1H-ben...) Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(F)cccc1OC Show InChI InChI=1S/C23H29FN4O/c1-15-13-17(16-7-10-28(11-8-16)12-9-25-2)14-19-22(15)27-23(26-19)21-18(24)5-4-6-20(21)29-3/h4-6,13-14,16,25H,7-12H2,1-3H3,(H,26,27)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CARM1 assessed as inhibition of histone3 methylation				Bioorg Med Chem Lett 19: 5063-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.040 BindingDB Entry DOI: 10.7270/Q2KW5G3W
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50301078 (2-(4-(2-(4-fluoro-2-methoxyphenyl)-7-methyl-1H-ben...) Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1ccc(F)cc1OC Show InChI InChI=1S/C23H29FN4O/c1-15-12-17(16-6-9-28(10-7-16)11-8-25-2)13-20-22(15)27-23(26-20)19-5-4-18(24)14-21(19)29-3/h4-5,12-14,16,25H,6-11H2,1-3H3,(H,26,27)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CARM1 assessed as inhibition of histone3 methylation				Bioorg Med Chem Lett 19: 5063-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.040 BindingDB Entry DOI: 10.7270/Q2KW5G3W
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50301076 (2-(4-(2-(2-methoxyphenyl)-4-methyl-1H-benzo[d]imid...) Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1ccccc1OC Show InChI InChI=1S/C23H30N4O/c1-16-14-18(17-8-11-27(12-9-17)13-10-24-2)15-20-22(16)26-23(25-20)19-6-4-5-7-21(19)28-3/h4-7,14-15,17,24H,8-13H2,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CARM1 assessed as inhibition of histone3 methylation				Bioorg Med Chem Lett 19: 5063-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.040 BindingDB Entry DOI: 10.7270/Q2KW5G3W
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50301075 (2-(4-(2-(2-methoxypyridin-3-yl)-3H-imidazo[4,5-b]p...) Show SMILES CNCCN1CCC(CC1)c1cnc2nc([nH]c2c1)-c1cccnc1OC Show InChI InChI=1S/C20H26N6O/c1-21-8-11-26-9-5-14(6-10-26)15-12-17-19(23-13-15)25-18(24-17)16-4-3-7-22-20(16)27-2/h3-4,7,12-14,21H,5-6,8-11H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CARM1 assessed as inhibition of histone3 methylation				Bioorg Med Chem Lett 19: 5063-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.040 BindingDB Entry DOI: 10.7270/Q2KW5G3W
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50301069 (2-(4-(2-(2-methoxypyridin-3-yl)-4-methyl-1H-benzo[...) Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1cccnc1OC Show InChI InChI=1S/C22H29N5O/c1-15-13-17(16-6-10-27(11-7-16)12-9-23-2)14-19-20(15)26-21(25-19)18-5-4-8-24-22(18)28-3/h4-5,8,13-14,16,23H,6-7,9-12H2,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CARM1 assessed as inhibition of histone3 methylation				Bioorg Med Chem Lett 19: 5063-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.040 BindingDB Entry DOI: 10.7270/Q2KW5G3W
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50301073 (2-(4-(2-(2-methoxypyridin-3-yl)-1H-benzo[d]imidazo...) Show SMILES CNCCN1CCC(CC1)c1ccc2nc([nH]c2c1)-c1cccnc1OC Show InChI InChI=1S/C21H27N5O/c1-22-10-13-26-11-7-15(8-12-26)16-5-6-18-19(14-16)25-20(24-18)17-4-3-9-23-21(17)27-2/h3-6,9,14-15,22H,7-8,10-13H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CARM1 assessed as inhibition of histone3 methylation				Bioorg Med Chem Lett 19: 5063-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.040 BindingDB Entry DOI: 10.7270/Q2KW5G3W
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50301074 (2-(4-(2-(2-methoxypyridin-3-yl)-1-methyl-1H-benzo[...) Show SMILES CNCCN1CCC(CC1)c1ccc2n(C)c(nc2c1)-c1cccnc1OC Show InChI InChI=1S/C22H29N5O/c1-23-11-14-27-12-8-16(9-13-27)17-6-7-20-19(15-17)25-21(26(20)2)18-5-4-10-24-22(18)28-3/h4-7,10,15-16,23H,8-9,11-14H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CARM1 assessed as inhibition of histone3 methylation				Bioorg Med Chem Lett 19: 5063-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.040 BindingDB Entry DOI: 10.7270/Q2KW5G3W
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50301080 (CHEMBL567298 | N-methyl-2-(4-(7-methyl-2-phenyl-1H...) Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1ccccc1 Show InChI InChI=1S/C22H28N4/c1-16-14-19(17-8-11-26(12-9-17)13-10-23-2)15-20-21(16)25-22(24-20)18-6-4-3-5-7-18/h3-7,14-15,17,23H,8-13H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CARM1 assessed as inhibition of histone3 methylation				Bioorg Med Chem Lett 19: 5063-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.040 BindingDB Entry DOI: 10.7270/Q2KW5G3W
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50301070 (2-(2-methoxypyridin-3-yl)-4-methyl-6-(piperidin-4-...) Show SMILES COc1ncccc1-c1nc2c(C)cc(cc2[nH]1)C1CCNCC1 Show InChI InChI=1S/C19H22N4O/c1-12-10-14(13-5-8-20-9-6-13)11-16-17(12)23-18(22-16)15-4-3-7-21-19(15)24-2/h3-4,7,10-11,13,20H,5-6,8-9H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CARM1 assessed as inhibition of histone3 methylation				Bioorg Med Chem Lett 19: 5063-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.040 BindingDB Entry DOI: 10.7270/Q2KW5G3W
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50301071 ((S)-1-(4-(2-(2-methoxypyridin-3-yl)-4-methyl-1H-be...) Show SMILES CN[C@@H](C)CN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1cccnc1OC |r| Show InChI InChI=1S/C23H31N5O/c1-15-12-18(17-7-10-28(11-8-17)14-16(2)24-3)13-20-21(15)27-22(26-20)19-6-5-9-25-23(19)29-4/h5-6,9,12-13,16-17,24H,7-8,10-11,14H2,1-4H3,(H,26,27)/t16-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CARM1 assessed as inhibition of histone3 methylation				Bioorg Med Chem Lett 19: 5063-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.040 BindingDB Entry DOI: 10.7270/Q2KW5G3W
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50301072 ((R)-1-(4-(2-(2-methoxypyridin-3-yl)-4-methyl-1H-be...) Show SMILES CN[C@H](C)CN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1cccnc1OC |r| Show InChI InChI=1S/C23H31N5O/c1-15-12-18(17-7-10-28(11-8-17)14-16(2)24-3)13-20-21(15)27-22(26-20)19-6-5-9-25-23(19)29-4/h5-6,9,12-13,16-17,24H,7-8,10-11,14H2,1-4H3,(H,26,27)/t16-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CARM1 assessed as inhibition of histone3 methylation				Bioorg Med Chem Lett 19: 5063-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.040 BindingDB Entry DOI: 10.7270/Q2KW5G3W
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 3 [N508S] (Homo sapiens (Human))	BDBM50301077 (2-(4-(2-(2,6-dimethoxyphenyl)-7-methyl-1H-benzo[d]...) Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(OC)cccc1OC Show InChI InChI=1S/C24H32N4O2/c1-16-14-18(17-8-11-28(12-9-17)13-10-25-2)15-19-23(16)27-24(26-19)22-20(29-3)6-5-7-21(22)30-4/h5-7,14-15,17,25H,8-13H2,1-4H3,(H,26,27)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of PRMT3				Bioorg Med Chem Lett 19: 5063-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.040 BindingDB Entry DOI: 10.7270/Q2KW5G3W
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50301077 (2-(4-(2-(2,6-dimethoxyphenyl)-7-methyl-1H-benzo[d]...) Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(OC)cccc1OC Show InChI InChI=1S/C24H32N4O2/c1-16-14-18(17-8-11-28(12-9-17)13-10-25-2)15-19-23(16)27-24(26-19)22-20(29-3)6-5-7-21(22)30-4/h5-7,14-15,17,25H,8-13H2,1-4H3,(H,26,27)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of PRMT1				Bioorg Med Chem Lett 19: 5063-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.040 BindingDB Entry DOI: 10.7270/Q2KW5G3W
					More data for this Ligand-Target Pair