Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50002829   

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))	BDBM50463515 (CHEMBL4241942) Show SMILES Cc1cc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C20H16N2O/c1-12-11-14-7-8-15(13(2)19(14)20(23)22-12)16-9-10-21-18-6-4-3-5-17(16)18/h3-11H,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463510 (CHEMBL4244382) Show SMILES O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463517 (CHEMBL4237728) Show SMILES CN(C)c1ccc(cc1)-n1cnc2ccc(cc2c1=O)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H20N4O/c1-28(2)18-8-10-19(11-9-18)29-16-27-24-12-7-17(15-22(24)25(29)30)20-13-14-26-23-6-4-3-5-21(20)23/h3-16H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463511 (CHEMBL4238262) Show SMILES CCc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C20H17N3O/c1-3-18-22-17-9-8-13(12(2)19(17)20(24)23-18)14-10-11-21-16-7-5-4-6-15(14)16/h4-11H,3H2,1-2H3,(H,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463512 (CHEMBL4243957) Show SMILES Cc1nc2ccc(cc2c(=O)[nH]1)-c1cccc2ncccc12 Show InChI InChI=1S/C18H13N3O/c1-11-20-17-8-7-12(10-15(17)18(22)21-11)13-4-2-6-16-14(13)5-3-9-19-16/h2-10H,1H3,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463530 (CHEMBL4237276) Show SMILES O=c1n(CCCN2CCOCC2)cnc2ccc(cc12)-c1ccnc2ccccc12 Show InChI InChI=1S/C24H24N4O2/c29-24-21-16-18(19-8-9-25-22-5-2-1-4-20(19)22)6-7-23(21)26-17-28(24)11-3-10-27-12-14-30-15-13-27/h1-2,4-9,16-17H,3,10-15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463509 (CHEMBL4245292) Show SMILES O=c1[nH]cnc2ccc(cc12)-c1ccnc2ccccc12 Show InChI InChI=1S/C17H11N3O/c21-17-14-9-11(5-6-16(14)19-10-20-17)12-7-8-18-15-4-2-1-3-13(12)15/h1-10H,(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463529 (CHEMBL4250025) Show SMILES Cn1cnc2ccc(cc2c1=O)-c1ccnc2ccccc12 Show InChI InChI=1S/C18H13N3O/c1-21-11-20-17-7-6-12(10-15(17)18(21)22)13-8-9-19-16-5-3-2-4-14(13)16/h2-11H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463520 (CHEMBL4250114) Show SMILES Cc1c(ccc2nc[nH]c(=O)c12)-c1cccc2ncccc12 Show InChI InChI=1S/C18H13N3O/c1-11-12(7-8-16-17(11)18(22)21-10-20-16)13-4-2-6-15-14(13)5-3-9-19-15/h2-10H,1H3,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463513 (CHEMBL4243400) Show SMILES Cc1c(ccc2nc[nH]c(=O)c12)-c1ccnc2ccccc12 Show InChI InChI=1S/C18H13N3O/c1-11-12(6-7-16-17(11)18(22)21-10-20-16)13-8-9-19-15-5-3-2-4-14(13)15/h2-10H,1H3,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463519 (CHEMBL4247727) Show SMILES Cc1nc2ccc(cc2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C18H13N3O/c1-11-20-17-7-6-12(10-15(17)18(22)21-11)13-8-9-19-16-5-3-2-4-14(13)16/h2-10H,1H3,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	248	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463528 (CHEMBL4246278) Show SMILES Cc1n[nH]c(C)c1-c1ccc2nc[nH]c(=O)c2c1 Show InChI InChI=1S/C13H12N4O/c1-7-12(8(2)17-16-7)9-3-4-11-10(5-9)13(18)15-6-14-11/h3-6H,1-2H3,(H,16,17)(H,14,15,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	293	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463522 (CHEMBL4245595) Show SMILES O=c1[nH]cnc2ccc(cc12)-c1cccc2ncccc12 Show InChI InChI=1S/C17H11N3O/c21-17-14-9-11(6-7-16(14)19-10-20-17)12-3-1-5-15-13(12)4-2-8-18-15/h1-10H,(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	344	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463527 (CHEMBL4249920) Show SMILES Cn1cnc2ccc(cc2c1=O)-c1cccc2ncccc12 Show InChI InChI=1S/C18H13N3O/c1-21-11-20-17-8-7-12(10-15(17)18(21)22)13-4-2-6-16-14(13)5-3-9-19-16/h2-11H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	383	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463523 (CHEMBL4249083) Show SMILES O=c1[nH]cnc2ccc(cc12)-c1c[nH]nc1C1CC1 Show InChI InChI=1S/C14H12N4O/c19-14-10-5-9(3-4-12(10)15-7-16-14)11-6-17-18-13(11)8-1-2-8/h3-8H,1-2H2,(H,17,18)(H,15,16,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463508 (CHEMBL4240187) Show SMILES O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H15N3O/c27-23-20-14-16(18-12-13-24-21-9-5-4-8-19(18)21)10-11-22(20)25-15-26(23)17-6-2-1-3-7-17/h1-15H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	431	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463516 (CHEMBL4251441) Show SMILES Cc1c(ccc2nc(Cc3ccccc3)[nH]c(=O)c12)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H19N3O/c1-16-18(19-13-14-26-21-10-6-5-9-20(19)21)11-12-22-24(16)25(29)28-23(27-22)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	439	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463521 (CHEMBL4250951) Show SMILES O=c1[nH]cnc2ccc(cc12)-c1cnn2ccccc12 Show InChI InChI=1S/C15H10N4O/c20-15-11-7-10(4-5-13(11)16-9-17-15)12-8-18-19-6-2-1-3-14(12)19/h1-9H,(H,16,17,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	653	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463514 (CHEMBL4240335) Show SMILES CCc1n[nH]cc1-c1ccc2nc[nH]c(=O)c2c1 Show InChI InChI=1S/C13H12N4O/c1-2-11-10(6-16-17-11)8-3-4-12-9(5-8)13(18)15-7-14-12/h3-7H,2H2,1H3,(H,16,17)(H,14,15,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463518 (CHEMBL4248621) Show SMILES O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)C1CCCCC1 Show InChI InChI=1S/C23H21N3O/c27-23-20-14-16(18-12-13-24-21-9-5-4-8-19(18)21)10-11-22(20)25-15-26(23)17-6-2-1-3-7-17/h4-5,8-15,17H,1-3,6-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463524 (CHEMBL4242841) Show SMILES Cc1n[nH]cc1-c1ccc2nc[nH]c(=O)c2c1 Show InChI InChI=1S/C12H10N4O/c1-7-10(5-15-16-7)8-2-3-11-9(4-8)12(17)14-6-13-11/h2-6H,1H3,(H,15,16)(H,13,14,17)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463526 (CHEMBL4248641) Show SMILES O=c1[nH]cnc2ccc(cc12)-c1cn[nH]c1 Show InChI InChI=1S/C11H8N4O/c16-11-9-3-7(8-4-14-15-5-8)1-2-10(9)12-6-13-11/h1-6H,(H,14,15)(H,12,13,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463525 (CHEMBL4247078) Show SMILES Cn1cc(cn1)-c1ccc2nc[nH]c(=O)c2c1 Show InChI InChI=1S/C12H10N4O/c1-16-6-9(5-15-16)8-2-3-11-10(4-8)12(17)14-7-13-11/h2-7H,1H3,(H,13,14,17)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based Lanth...				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK1 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK5 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM50463510 (CHEMBL4244382) Show SMILES O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK1 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50463510 (CHEMBL4244382) Show SMILES O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK5 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50463510 (CHEMBL4244382) Show SMILES O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to partial length human KIT (I571 to D952 residues) expressed in bacterial expression system by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1A (Homo sapiens (Human))	BDBM50463510 (CHEMBL4244382) Show SMILES O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK3 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to partial length human RAF1 (I330 to T640 residues) expressed in bacterial expression system by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1A (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK3 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK2 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50463510 (CHEMBL4244382) Show SMILES O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to partial length human PDGFRB (V582 to Y1009 residues) expressed in bacterial expression system by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50463510 (CHEMBL4244382) Show SMILES O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to partial length human PDGFRA (V575 to D1002 residues) expressed in mammalian expression system by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to partial length human BRAF (S429 to E741 residues) expressed in mammalian expression system by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK6 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (Homo sapiens (Human))	BDBM50463510 (CHEMBL4244382) Show SMILES O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK6 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM50463507 (CHEMBL4247751) Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12 Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK4 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM50463510 (CHEMBL4244382) Show SMILES O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK4 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50463510 (CHEMBL4244382) Show SMILES O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK2 by KdELECT assay				J Med Chem 61: 7261-7272 (2018) Article DOI: 10.1021/acs.jmedchem.8b00782 BindingDB Entry DOI: 10.7270/Q2K64MRS
					More data for this Ligand-Target Pair				3D Structure (crystal)