Compile Data Set for Download or QSAR

Found 511 hits Enz. Inhib. hit(s) with Target = 'Activin receptor type-1'   

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
Activin receptor type-1B (Homo sapiens (Human))	BDBM280366 (2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-N-{1H-py...) Show SMILES Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3[nH]ccc23)c(cn1)C1CC1 Show InChI InChI=1S/C21H16ClFN4/c22-13-3-4-17(23)15(9-13)19-10-20(16(11-26-19)12-1-2-12)27-18-6-8-25-21-14(18)5-7-24-21/h3-12H,1-2H2,(H2,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Medivation Technologies LLC US Patent					Assay Description Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...				US Patent US10030004 (2018) BindingDB Entry DOI: 10.7270/Q2QC05HQ
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay				J Med Chem 60: 1495-1508 (2017) Article DOI: 10.1021/acs.jmedchem.6b01679 BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1B (Homo sapiens (Human))	BDBM280369 (2-(5-chloro-2-fluorophenyl)-5-(propan-2-yl)-N-{7H-...) Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4cc(Cl)ccc4F)ncnc23)cc1 Show InChI InChI=1S/C28H25ClFN5O/c1-17(2)23-14-31-25(22-12-19(29)6-9-24(22)30)13-26(23)34-27-21-10-11-35(28(21)33-16-32-27)15-18-4-7-20(36-3)8-5-18/h4-14,16-17H,15H2,1-3H3,(H,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Medivation Technologies LLC US Patent					Assay Description Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...				US Patent US10030004 (2018) BindingDB Entry DOI: 10.7270/Q2QC05HQ
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM280370 (2-(5-chloro-2-fluorophenyl)-5-(propan-2-yl)-N-{1H-...) Show SMILES COc1ccc(Cn2ncc3c(Nc4cc(ncc4C(C)C)-c4cc(Cl)ccc4F)ncnc23)cc1 Show InChI InChI=1S/C27H24ClFN6O/c1-16(2)21-12-30-24(20-10-18(28)6-9-23(20)29)11-25(21)34-26-22-13-33-35(27(22)32-15-31-26)14-17-4-7-19(36-3)8-5-17/h4-13,15-16H,14H2,1-3H3,(H,30,31,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Medivation Technologies LLC US Patent					Assay Description Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...				US Patent US10030004 (2018) BindingDB Entry DOI: 10.7270/Q2QC05HQ
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM280365 (4-{[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrid...) Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C1CC1)-c1cc(Cl)ccc1F Show InChI InChI=1/C23H22ClFN4O2/c1-13(30)10-28-23(31)18-11-26-7-6-20(18)29-22-9-21(27-12-17(22)14-2-3-14)16-8-15(24)4-5-19(16)25/h4-9,11-14,30H,2-3,10H2,1H3,(H,28,31)(H,26,27,29)/t13-/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Medivation Technologies LLC US Patent					Assay Description Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...				US Patent US10030004 (2018) BindingDB Entry DOI: 10.7270/Q2QC05HQ
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50056506 (CHEMBL3341943) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C21H23N3O5S/c1-27-18-10-14(11-19(28-2)20(18)29-3)17-9-15(12-23-21(17)22)13-6-5-7-16(8-13)24-30(4,25)26/h5-12,24H,1-4H3,(H2,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant human ALK2 kinase after 45 mins by liquid scintillation counting in presence of ATP [gamma-32P]				J Med Chem 57: 7900-15 (2014) Article DOI: 10.1021/jm501177w BindingDB Entry DOI: 10.7270/Q2PK0HS6
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50097393 (CHEMBL3586447) Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK2 by LanthaScreen Binding assay				J Med Chem 58: 5437-44 (2015) Article DOI: 10.1021/acs.jmedchem.5b00734 BindingDB Entry DOI: 10.7270/Q25B047D
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM143311 (US9682983, 11) Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12 Show InChI InChI=1/C28H28N6/c1-18-12-25(24-6-4-5-7-27(24)32-18)26-16-31-33-17-22(15-30-28(26)33)21-8-10-23(11-9-21)34-19(2)13-29-14-20(34)3/h4-12,15-17,19-20,29H,13-14H2,1-3H3/t19-,20+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	7.70	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	8	25	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description Biochemical binding assays (DiscoveRx) and in vitro enzyme inhibition assays (LanthaScreen, Life Technologies) were conducted to determine the bindin...				US Patent US9469613 (2016) BindingDB Entry DOI: 10.7270/Q2J1024J
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM161920 (US9682983, 52 | US9682983, 53) Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1/C27H26N6/c1-18-13-28-14-19(2)33(18)22-10-8-20(9-11-22)21-15-30-27-25(16-31-32(27)17-21)23-5-3-7-26-24(23)6-4-12-29-26/h3-12,15-19,28H,13-14H2,1-2H3/t18-,19+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM161920 (US9682983, 52 | US9682983, 53) Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1/C27H26N6/c1-18-13-28-14-19(2)33(18)22-10-8-20(9-11-22)21-15-30-27-25(16-31-32(27)17-21)23-5-3-7-26-24(23)6-4-12-29-26/h3-12,15-19,28H,13-14H2,1-2H3/t18-,19+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM280340 ((S)-4-(2-(5-chloro-2-fluorophenyl)-5-isopropylpyri...) Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)N[C@@H](C)CO)-c1cc(Cl)ccc1F Show InChI InChI=1/C23H24ClFN4O2/c1-13(2)17-11-27-21(16-8-15(24)4-5-19(16)25)9-22(17)29-20-6-7-26-10-18(20)23(31)28-14(3)12-30/h4-11,13-14,30H,12H2,1-3H3,(H,28,31)(H,26,27,29)/t14-/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Medivation Technologies LLC US Patent					Assay Description Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...				US Patent US10030004 (2018) BindingDB Entry DOI: 10.7270/Q2QC05HQ
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM111123 (US9682983, 2) Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1/C27H26N6/c1-18-13-28-14-19(2)33(18)22-9-7-20(8-10-22)21-15-30-27-25(16-31-32(27)17-21)23-11-12-29-26-6-4-3-5-24(23)26/h3-12,15-19,28H,13-14H2,1-2H3/t18-,19+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50056680 (CHEMBL3341794) Show SMILES COc1cc(cc(OC)c1OC)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H27N5O3/c1-31-22-12-18(13-23(32-2)24(22)33-3)21-15-28-30-16-19(14-27-25(21)30)17-4-6-20(7-5-17)29-10-8-26-9-11-29/h4-7,12-16,26H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant human ALK2 kinase after 45 mins by liquid scintillation counting in presence of ATP [gamma-32P]				J Med Chem 57: 7900-15 (2014) Article DOI: 10.1021/jm501177w BindingDB Entry DOI: 10.7270/Q2PK0HS6
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50056508 (CHEMBL3341945) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H28N4O3/c1-29-21-13-17(14-22(30-2)23(21)31-3)20-12-18(15-27-24(20)25)16-4-6-19(7-5-16)28-10-8-26-9-11-28/h4-7,12-15,26H,8-11H2,1-3H3,(H2,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant human ALK2 kinase after 45 mins by liquid scintillation counting in presence of ATP [gamma-32P]				J Med Chem 57: 7900-15 (2014) Article DOI: 10.1021/jm501177w BindingDB Entry DOI: 10.7270/Q2PK0HS6
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM280363 (2-(3-fluoropyridin-2-yl)-5-(propan-2-yl)-N-{1H-pyr...) Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4ncccc4F)ccnc23)cc1 Show InChI InChI=1S/C28H26FN5O/c1-18(2)22-16-32-26(27-23(29)5-4-12-30-27)15-25(22)33-24-10-13-31-28-21(24)11-14-34(28)17-19-6-8-20(35-3)9-7-19/h4-16,18H,17H2,1-3H3,(H,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	10.5	n/a	n/a	n/a	n/a	n/a	n/a
Medivation Technologies LLC US Patent					Assay Description Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...				US Patent US10030004 (2018) BindingDB Entry DOI: 10.7270/Q2QC05HQ
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM280352 (N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-...) Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNC(=O)OC(C)(C)C)-c1cc(Cl)ccc1F Show InChI InChI=1S/C27H31ClFN5O3/c1-16(2)19-15-33-23(18-12-17(28)6-7-21(18)29)13-24(19)34-22-8-9-30-14-20(22)25(35)31-10-11-32-26(36)37-27(3,4)5/h6-9,12-16H,10-11H2,1-5H3,(H,31,35)(H,32,36)(H,30,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Medivation Technologies LLC US Patent					Assay Description Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...				US Patent US10030004 (2018) BindingDB Entry DOI: 10.7270/Q2QC05HQ
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM280360 (4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...) Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NCCO)-c1cc(Cl)ccc1F Show InChI InChI=1S/C22H20ClFN4O2/c1-13(2)16-12-27-20(15-9-14(23)3-4-18(15)24)10-21(16)28-19-5-6-25-11-17(19)22(30)26-7-8-29/h3-6,9-12,29H,1,7-8H2,2H3,(H,26,30)(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
Medivation Technologies LLC US Patent					Assay Description Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...				US Patent US10030004 (2018) BindingDB Entry DOI: 10.7270/Q2QC05HQ
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM280348 (N-(2-amino-2-oxo-ethyl)-4-[[2-(5-chloro-2-fluoro-p...) Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCC(N)=O)-c1cc(Cl)ccc1F Show InChI InChI=1S/C22H21ClFN5O2/c1-12(2)15-10-27-19(14-7-13(23)3-4-17(14)24)8-20(15)29-18-5-6-26-9-16(18)22(31)28-11-21(25)30/h3-10,12H,11H2,1-2H3,(H2,25,30)(H,28,31)(H,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	11.7	n/a	n/a	n/a	n/a	n/a	n/a
Medivation Technologies LLC US Patent					Assay Description Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...				US Patent US10030004 (2018) BindingDB Entry DOI: 10.7270/Q2QC05HQ
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM127883 (US9682983, 6) Show SMILES C1N[C@H]2C[C@@H]1N(C2)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1/C26H22N6/c1-2-4-25-23(3-1)22(9-10-27-25)24-14-30-32-15-18(12-29-26(24)32)17-5-7-20(8-6-17)31-16-19-11-21(31)13-28-19/h1-10,12,14-15,19,21,28H,11,13,16H2/t19-,21-/s2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM50015639 (CHEMBL3260567 | USRE47141, Example 2) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1 Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of ALK4 (unknown origin) by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM280341 ((S)-4-(2-(5-chloro-2-fluorophenyl)-5-(prop-1-en-2-...) Show SMILES CC[C@H](O)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F Show InChI InChI=1/C23H22ClFN4O2/c1-4-22(30)29-23(31)17-11-26-8-7-19(17)28-21-10-20(27-12-16(21)13(2)3)15-9-14(24)5-6-18(15)25/h5-12,22,30H,2,4H2,1,3H3,(H,29,31)(H,26,27,28)/t22-/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Medivation Technologies LLC US Patent					Assay Description Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...				US Patent US10030004 (2018) BindingDB Entry DOI: 10.7270/Q2QC05HQ
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM161910 (US9682983, 42) Show SMILES C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C26H25N7O/c1-3-21(22-4-2-8-28-24(22)5-1)23-17-31-33-18-20(16-30-26(23)33)19-6-7-25(29-15-19)34-14-13-32-11-9-27-10-12-32/h1-8,15-18,27H,9-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50056510 (CHEMBL3341947) Show SMILES COc1cc(OC)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C23H26N4O2/c1-28-20-11-17(12-21(14-20)29-2)22-13-18(15-26-23(22)24)16-3-5-19(6-4-16)27-9-7-25-8-10-27/h3-6,11-15,25H,7-10H2,1-2H3,(H2,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant human ALK2 kinase after 45 mins by liquid scintillation counting in presence of ATP [gamma-32P]				J Med Chem 57: 7900-15 (2014) Article DOI: 10.1021/jm501177w BindingDB Entry DOI: 10.7270/Q2PK0HS6
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM160069 (US9682983, 39) Show SMILES Fc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H21FN6/c26-22-13-17(5-6-24(22)31-11-9-27-10-12-31)18-14-29-25-21(15-30-32(25)16-18)19-7-8-28-23-4-2-1-3-20(19)23/h1-8,13-16,27H,9-12H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50056675 (CHEMBL3341787) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H27N3O3/c1-28-22-13-18(14-23(29-2)24(22)30-3)20-12-19(15-26-16-20)17-4-6-21(7-5-17)27-10-8-25-9-11-27/h4-7,12-16,25H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant human ALK2 kinase after 45 mins by liquid scintillation counting in presence of ATP [gamma-32P]				J Med Chem 57: 7900-15 (2014) Article DOI: 10.1021/jm501177w BindingDB Entry DOI: 10.7270/Q2PK0HS6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM161914 (US9682983, 46) Show SMILES Clc1cc(ccc1OCCN1CCCCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C28H26ClN5O/c29-25-16-20(9-10-27(25)35-15-14-33-12-2-1-3-13-33)21-17-31-28-24(18-32-34(28)19-21)22-6-4-8-26-23(22)7-5-11-30-26/h4-11,16-19H,1-3,12-15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM118134 (US9682983, 3) Show SMILES C1CN(CCN1)c1ccc(nc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C24H21N7/c1-2-4-23-20(3-1)19(7-8-26-23)21-15-29-31-16-17(13-28-24(21)31)22-6-5-18(14-27-22)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM161912 (US9682983, 44) Show SMILES CN1CCN(CCOc2ccc(cn2)-c2cnc3c(cnn3c2)-c2cccc3ncccc23)CC1 Show InChI InChI=1S/C27H27N7O/c1-32-10-12-33(13-11-32)14-15-35-26-8-7-20(16-29-26)21-17-30-27-24(18-31-34(27)19-21)22-4-2-6-25-23(22)5-3-9-28-25/h2-9,16-19H,10-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50056507 (CHEMBL3341944) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(c1)N1CCNCC1 Show InChI InChI=1S/C24H28N4O3/c1-29-21-13-17(14-22(30-2)23(21)31-3)20-12-18(15-27-24(20)25)16-5-4-6-19(11-16)28-9-7-26-8-10-28/h4-6,11-15,26H,7-10H2,1-3H3,(H2,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	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
Massachusetts Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant human ALK2 kinase after 45 mins by liquid scintillation counting in presence of ATP [gamma-32P]				J Med Chem 57: 7900-15 (2014) Article DOI: 10.1021/jm501177w BindingDB Entry DOI: 10.7270/Q2PK0HS6
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM143207 (US9682983, 7) Show SMILES C1CN(CCN1)c1cnc(s1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C22H19N7S/c1-2-4-19-17(3-1)16(5-6-24-19)18-12-27-29-14-15(11-25-21(18)29)22-26-13-20(30-22)28-9-7-23-8-10-28/h1-6,11-14,23H,7-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM160478 (US9682983, 41) Show SMILES C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C26H25N7O/c1-2-4-24-22(3-1)21(7-8-28-24)23-17-31-33-18-20(16-30-26(23)33)19-5-6-25(29-15-19)34-14-13-32-11-9-27-10-12-32/h1-8,15-18,27H,9-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM148372 (US9682983, 33) Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1/C26H25N7/c1-17-11-27-12-18(2)33(17)25-8-7-19(13-29-25)20-14-30-26-23(15-31-32(26)16-20)21-9-10-28-24-6-4-3-5-22(21)24/h3-10,13-18,27H,11-12H2,1-2H3/t17-,18+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM50252542 (3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...) Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1 Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of ALK4 (unknown origin) by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM143282 (US9682983, 10) Show SMILES Cc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1 Show InChI InChI=1S/C26H24N6/c1-18-14-23(22-4-2-3-5-25(22)30-18)24-16-29-32-17-20(15-28-26(24)32)19-6-8-21(9-7-19)31-12-10-27-11-13-31/h2-9,14-17,27H,10-13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM143566 (US9682983, 13) Show SMILES Cc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)C2CCNCC2)c2ccccc2n1 Show InChI InChI=1S/C27H25N5/c1-18-14-24(23-4-2-3-5-26(23)31-18)25-16-30-32-17-22(15-29-27(25)32)20-8-6-19(7-9-20)21-10-12-28-13-11-21/h2-9,14-17,21,28H,10-13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50056509 (CHEMBL3341946) Show SMILES COc1ccc(cc1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C23H26N4O2/c1-28-21-8-5-17(14-22(21)29-2)20-13-18(15-26-23(20)24)16-3-6-19(7-4-16)27-11-9-25-10-12-27/h3-8,13-15,25H,9-12H2,1-2H3,(H2,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant human ALK2 kinase after 45 mins by liquid scintillation counting in presence of ATP [gamma-32P]				J Med Chem 57: 7900-15 (2014) Article DOI: 10.1021/jm501177w BindingDB Entry DOI: 10.7270/Q2PK0HS6
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM280346 (4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-4-pyrid...) Show SMILES COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F Show InChI InChI=1/C21H20ClFN4O3/c1-12(28)9-26-21(29)15-10-24-6-5-17(15)27-19-8-18(25-11-20(19)30-2)14-7-13(22)3-4-16(14)23/h3-8,10-12,28H,9H2,1-2H3,(H,26,29)(H,24,25,27)/t12-/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	23.5	n/a	n/a	n/a	n/a	n/a	n/a
Medivation Technologies LLC US Patent					Assay Description Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...				US Patent US10030004 (2018) BindingDB Entry DOI: 10.7270/Q2QC05HQ
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM280364 (2-(3-fluoropyridin-2-yl)-5-(propan-2-yl)-N-{7H-pyr...) Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4ncccc4F)ncnc23)cc1 Show InChI InChI=1S/C27H25FN6O/c1-17(2)21-14-30-24(25-22(28)5-4-11-29-25)13-23(21)33-26-20-10-12-34(27(20)32-16-31-26)15-18-6-8-19(35-3)9-7-18/h4-14,16-17H,15H2,1-3H3,(H,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	23.7	n/a	n/a	n/a	n/a	n/a	n/a
Medivation Technologies LLC US Patent					Assay Description Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...				US Patent US10030004 (2018) BindingDB Entry DOI: 10.7270/Q2QC05HQ
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50056676 (CHEMBL3341789) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-22(19-14-23(29-2)25(31-4)24(15-19)30-3)13-20(16-27-17)18-5-7-21(8-6-18)28-11-9-26-10-12-28/h5-8,13-16,26H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant human ALK2 kinase after 45 mins by liquid scintillation counting in presence of ATP [gamma-32P]				J Med Chem 57: 7900-15 (2014) Article DOI: 10.1021/jm501177w BindingDB Entry DOI: 10.7270/Q2PK0HS6
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM148388 (US9682983, 37) Show SMILES N#Cc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C26H21N7/c27-14-19-13-18(5-6-25(19)32-11-9-28-10-12-32)20-15-30-26-23(16-31-33(26)17-20)21-7-8-29-24-4-2-1-3-22(21)24/h1-8,13,15-17,28H,9-12H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM143246 (US9682983, 8) Show SMILES Clc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1 Show InChI InChI=1S/C25H21ClN6/c26-24-13-21(20-3-1-2-4-23(20)30-24)22-15-29-32-16-18(14-28-25(22)32)17-5-7-19(8-6-17)31-11-9-27-10-12-31/h1-8,13-16,27H,9-12H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM143311 (US9682983, 11) Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12 Show InChI InChI=1/C28H28N6/c1-18-12-25(24-6-4-5-7-27(24)32-18)26-16-31-33-17-22(15-30-28(26)33)21-8-10-23(11-9-21)34-19(2)13-29-14-20(34)3/h4-12,15-17,19-20,29H,13-14H2,1-3H3/t19-,20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM102618 (LDN-212854) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of ALK2 (unknown origin)				Bioorg Med Chem Lett 23: 3248-52 (2013) Article DOI: 10.1016/j.bmcl.2013.03.113 BindingDB Entry DOI: 10.7270/Q2WW7K3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM148349 (US9682983, 23) Show SMILES NC(=O)c1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C26H23N7O/c27-25(34)22-3-1-2-21-20(8-9-29-24(21)22)23-15-31-33-16-18(14-30-26(23)33)17-4-6-19(7-5-17)32-12-10-28-11-13-32/h1-9,14-16,28H,10-13H2,(H2,27,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM36356 (DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26.7	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...				US Patent US9040694 (2015) BindingDB Entry DOI: 10.7270/Q2X065SN
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM36356 (DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26.7	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50056676 (CHEMBL3341789) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-22(19-14-23(29-2)25(31-4)24(15-19)30-3)13-20(16-27-17)18-5-7-21(8-6-18)28-11-9-26-10-12-28/h5-8,13-16,26H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ALK2 (unknown origin) expressed in HEK293T cells after 30 mins by luciferase reporter gene assay				J Med Chem 57: 7900-15 (2014) Article DOI: 10.1021/jm501177w BindingDB Entry DOI: 10.7270/Q2PK0HS6
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM161925 (US9682983, 57) Show SMILES CC(C)(CN1CCCCC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C29H30N6O/c1-29(2,20-34-14-4-3-5-15-34)36-22-11-12-26(31-17-22)21-16-32-28-25(18-33-35(28)19-21)23-8-6-10-27-24(23)9-7-13-30-27/h6-13,16-19H,3-5,14-15,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM111122 (US9682983, 1 | US9682983, 17) Show SMILES C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C24H21N7/c1-2-4-22-20(3-1)19(7-8-26-22)21-15-29-31-16-18(14-28-24(21)31)17-5-6-23(27-13-17)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	7.5	n/a
The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health US Patent					Assay Description Specifically, compounds were assayed using LANCE® Ultra ULight¿ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...				US Patent US9682983 (2017) BindingDB Entry DOI: 10.7270/Q28S4N3R
					More data for this Ligand-Target Pair

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