Compile Data Set for Download or QSAR

Found 172 hits Enz. Inhib. hit(s) with all data for entry = 50011051   

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-1 (Homo sapiens (Human))	BDBM50544399 (CHEMBL4638273) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N Show InChI InChI=1S/C25H26N4O3/c1-30-23-12-18(13-24(31-2)25(23)32-3)22-16-28-15-21(20(22)14-26)17-4-6-19(7-5-17)29-10-8-27-9-11-29/h4-7,12-13,15-16,27H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544408 (CHEMBL4641207) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCN(CC2)C(=O)N(C)C)c1C Show InChI InChI=1S/C28H34N4O4/c1-19-23(17-29-18-24(19)21-15-25(34-4)27(36-6)26(16-21)35-5)20-7-9-22(10-8-20)31-11-13-32(14-12-31)28(33)30(2)3/h7-10,15-18H,11-14H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544414 (CHEMBL4641530) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1=CCNCC1 |t:28| Show InChI InChI=1S/C26H28N2O3/c1-17-22(20-7-5-18(6-8-20)19-9-11-27-12-10-19)15-28-16-23(17)21-13-24(29-2)26(31-4)25(14-21)30-3/h5-9,13-16,27H,10-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544419 (CHEMBL4647724) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(OC2CCN(C)CC2)cc1 Show InChI InChI=1S/C27H32N2O4/c1-18-23(19-6-8-21(9-7-19)33-22-10-12-29(2)13-11-22)16-28-17-24(18)20-14-25(30-3)27(32-5)26(15-20)31-4/h6-9,14-17,22H,10-13H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544418 (CHEMBL4648102) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C26H30N2O4/c1-17-22(18-5-7-20(8-6-18)32-21-9-11-27-12-10-21)15-28-16-23(17)19-13-24(29-2)26(31-4)25(14-19)30-3/h5-8,13-16,21,27H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528194 (CHEMBL4517408) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 G328V mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by Na...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528194 (CHEMBL4517408) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 Q207D mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by Na...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544404 (CHEMBL4644571) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C Show InChI InChI=1S/C28H35N3O3/c1-19(2)30-11-13-31(14-12-30)23-9-7-21(8-10-23)24-17-29-18-25(20(24)3)22-15-26(32-4)28(34-6)27(16-22)33-5/h7-10,15-19H,11-14H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544413 (CHEMBL4633241) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1CCN(C)CC1 Show InChI InChI=1S/C27H32N2O3/c1-18-23(21-8-6-19(7-9-21)20-10-12-29(2)13-11-20)16-28-17-24(18)22-14-25(30-3)27(32-5)26(15-22)31-4/h6-9,14-17,20H,10-13H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528194 (CHEMBL4517408) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of ALK2 G328V mutant (unknown origin) by radiometric assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544405 (CHEMBL4634857) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1C[C@H](C)N[C@H](C)C1 |r| Show InChI InChI=1S/C27H33N3O3/c1-17-15-30(16-18(2)29-17)22-9-7-20(8-10-22)23-13-28-14-24(19(23)3)21-11-25(31-4)27(33-6)26(12-21)32-5/h7-14,17-18,29H,15-16H2,1-6H3/t17-,18+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528194 (CHEMBL4517408) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544403 (CHEMBL4643265) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H31N3O3/c1-18-22(19-6-8-21(9-7-19)29-12-10-28(2)11-13-29)16-27-17-23(18)20-14-24(30-3)26(32-5)25(15-20)31-4/h6-9,14-17H,10-13H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544412 (CHEMBL4635321) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C26H30N2O3/c1-17-22(20-7-5-18(6-8-20)19-9-11-27-12-10-19)15-28-16-23(17)21-13-24(29-2)26(31-4)25(14-21)30-3/h5-8,13-16,19,27H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544402 (CHEMBL4646278) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N Show InChI InChI=1S/C24H23FN4O2/c1-30-22-11-17(12-23(31-2)24(22)25)21-15-28-14-20(19(21)13-26)16-3-5-18(6-4-16)29-9-7-27-8-10-29/h3-6,11-12,14-15,27H,7-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528194 (CHEMBL4517408) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 R206H mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by Na...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528194 (CHEMBL4517408) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544416 (CHEMBL4639700) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCCNCC1 Show InChI InChI=1S/C26H31N3O3/c1-18-22(19-6-8-21(9-7-19)29-12-5-10-27-11-13-29)16-28-17-23(18)20-14-24(30-2)26(32-4)25(15-20)31-3/h6-9,14-17,27H,5,10-13H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528194 (CHEMBL4517408) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of ALK2 R258G mutant (unknown origin) by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544415 (CHEMBL4646444) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1=CCN(C)CC1 |t:28| Show InChI InChI=1S/C27H30N2O3/c1-18-23(21-8-6-19(7-9-21)20-10-12-29(2)13-11-20)16-28-17-24(18)22-14-25(30-3)27(32-5)26(15-22)31-4/h6-10,14-17H,11-13H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544396 (CHEMBL4633121) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1F)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O3/c1-29-21-12-17(13-22(30-2)24(21)31-3)20-15-27-14-19(23(20)25)16-4-6-18(7-5-16)28-10-8-26-9-11-28/h4-7,12-15,26H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM50528194 (CHEMBL4517408) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK1 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544399 (CHEMBL4638273) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N Show InChI InChI=1S/C25H26N4O3/c1-30-23-12-18(13-24(31-2)25(23)32-3)22-16-28-15-21(20(22)14-26)17-4-6-19(7-5-17)29-10-8-27-9-11-29/h4-7,12-13,15-16,27H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544397 (CHEMBL4642165) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1Cl)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26ClN3O3/c1-29-21-12-17(13-22(30-2)24(21)31-3)20-15-27-14-19(23(20)25)16-4-6-18(7-5-16)28-10-8-26-9-11-28/h4-7,12-15,26H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528194 (CHEMBL4517408) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 G356D mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by Na...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544411 (CHEMBL4648735) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C25H28N2O5S/c1-17-21(18-5-7-20(8-6-18)27-9-11-33(28,29)12-10-27)15-26-16-22(17)19-13-23(30-2)25(32-4)24(14-19)31-3/h5-8,13-16H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544406 (CHEMBL4647991) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CCF)CC1 Show InChI InChI=1S/C27H32FN3O3/c1-19-23(20-5-7-22(8-6-20)31-13-11-30(10-9-28)12-14-31)17-29-18-24(19)21-15-25(32-2)27(34-4)26(16-21)33-3/h5-8,15-18H,9-14H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544401 (CHEMBL4636120) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O2/c1-16-20(17-4-6-19(7-5-17)28-10-8-26-9-11-28)14-27-15-21(16)18-12-22(29-2)24(25)23(13-18)30-3/h4-7,12-15,26H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544417 (CHEMBL4638893) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(CN2CCN(C)CC2)cc1 Show InChI InChI=1S/C27H33N3O3/c1-19-23(21-8-6-20(7-9-21)18-30-12-10-29(2)11-13-30)16-28-17-24(19)22-14-25(31-3)27(33-5)26(15-22)32-4/h6-9,14-17H,10-13,18H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544407 (CHEMBL4648707) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H31N3O4/c1-18-23(20-6-8-22(9-7-20)30-12-10-29(11-13-30)19(2)31)16-28-17-24(18)21-14-25(32-3)27(34-5)26(15-21)33-4/h6-9,14-17H,10-13H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544410 (CHEMBL4642622) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C25H28N2O4/c1-17-21(18-5-7-20(8-6-18)27-9-11-31-12-10-27)15-26-16-22(17)19-13-23(28-2)25(30-4)24(14-19)29-3/h5-8,13-16H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544413 (CHEMBL4633241) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1CCN(C)CC1 Show InChI InChI=1S/C27H32N2O3/c1-18-23(21-8-6-19(7-9-21)20-10-12-29(2)13-11-20)16-28-17-24(18)22-14-25(30-3)27(32-5)26(15-22)31-4/h6-9,14-17,20H,10-13H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544409 (CHEMBL4638544) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H31N3O5S/c1-18-22(16-27-17-23(18)20-14-24(32-2)26(34-4)25(15-20)33-3)19-6-8-21(9-7-19)28-10-12-29(13-11-28)35(5,30)31/h6-9,14-17H,10-13H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544418 (CHEMBL4648102) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C26H30N2O4/c1-17-22(18-5-7-20(8-6-18)32-21-9-11-27-12-10-21)15-28-16-23(17)19-13-24(29-2)26(31-4)25(14-19)30-3/h5-8,13-16,21,27H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544396 (CHEMBL4633121) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1F)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26FN3O3/c1-29-21-12-17(13-22(30-2)24(21)31-3)20-15-27-14-19(23(20)25)16-4-6-18(7-5-16)28-10-8-26-9-11-28/h4-7,12-15,26H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544400 (CHEMBL4637817) Show SMILES COc1cc(OC)cc(c1)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H27N3O2/c1-17-23(18-4-6-20(7-5-18)27-10-8-25-9-11-27)15-26-16-24(17)19-12-21(28-2)14-22(13-19)29-3/h4-7,12-16,25H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544405 (CHEMBL4634857) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1C[C@H](C)N[C@H](C)C1 |r| Show InChI InChI=1S/C27H33N3O3/c1-17-15-30(16-18(2)29-17)22-9-7-20(8-10-22)23-13-28-14-24(19(23)3)21-11-25(31-4)27(33-6)26(12-21)32-5/h7-14,17-18,29H,15-16H2,1-6H3/t17-,18+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50528194 (CHEMBL4517408) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin)				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544393 (CHEMBL4646409) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C1CC1 Show InChI InChI=1S/C27H31N3O3/c1-31-24-14-20(15-25(32-2)27(24)33-3)23-17-29-16-22(26(23)19-4-5-19)18-6-8-21(9-7-18)30-12-10-28-11-13-30/h6-9,14-17,19,28H,4-5,10-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50528194 (CHEMBL4517408) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544414 (CHEMBL4641530) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1=CCNCC1 |t:28| Show InChI InChI=1S/C26H28N2O3/c1-17-22(20-7-5-18(6-8-20)19-9-11-27-12-10-19)15-28-16-23(17)21-13-24(29-2)26(31-4)25(14-21)30-3/h5-9,13-16,27H,10-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544402 (CHEMBL4646278) Show SMILES COc1cc(cc(OC)c1F)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N Show InChI InChI=1S/C24H23FN4O2/c1-30-22-11-17(12-23(31-2)24(22)25)21-15-28-14-20(19(21)13-26)16-3-5-18(6-4-16)29-9-7-27-8-10-29/h3-6,11-12,14-15,27H,7-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544412 (CHEMBL4635321) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C26H30N2O3/c1-17-22(20-7-5-18(6-8-20)19-9-11-27-12-10-19)15-28-16-23(17)21-13-24(29-2)26(31-4)25(14-21)30-3/h5-8,13-16,19,27H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544403 (CHEMBL4643265) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H31N3O3/c1-18-22(19-6-8-21(9-7-19)29-12-10-28(2)11-13-29)16-27-17-23(18)20-14-24(30-3)26(32-5)25(15-20)31-4/h6-9,14-17H,10-13H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544397 (CHEMBL4642165) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1Cl)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26ClN3O3/c1-29-21-12-17(13-22(30-2)24(21)31-3)20-15-27-14-19(23(20)25)16-4-6-18(7-5-16)28-10-8-26-9-11-28/h4-7,12-15,26H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544409 (CHEMBL4638544) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H31N3O5S/c1-18-22(16-27-17-23(18)20-14-24(32-2)26(34-4)25(15-20)33-3)19-6-8-21(9-7-19)28-10-12-29(13-11-28)35(5,30)31/h6-9,14-17H,10-13H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544419 (CHEMBL4647724) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(OC2CCN(C)CC2)cc1 Show InChI InChI=1S/C27H32N2O4/c1-18-23(19-6-8-21(9-7-19)33-22-10-12-29(2)13-11-22)16-28-17-24(18)20-14-25(30-3)27(32-5)26(15-20)31-4/h6-9,14-17,22H,10-13H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544398 (CHEMBL4635902) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C(F)(F)F Show InChI InChI=1S/C25H26F3N3O3/c1-32-21-12-17(13-22(33-2)24(21)34-3)20-15-30-14-19(23(20)25(26,27)28)16-4-6-18(7-5-16)31-10-8-29-9-11-31/h4-7,12-15,29H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (Homo sapiens (Human))	BDBM50528194 (CHEMBL4517408) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ALK6 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50544404 (CHEMBL4644571) Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C Show InChI InChI=1S/C28H35N3O3/c1-19(2)30-11-13-31(14-12-30)23-9-7-21(8-10-23)24-17-29-18-25(20(24)3)22-15-26(32-4)28(34-6)27(16-22)33-5/h7-10,15-19H,11-14H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...				J Med Chem 63: 10061-10085 (2020) Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 172 total )  |  Next  |  Last  >>

Jump to: