Compile Data Set for Download or QSAR

Found 251 hits with Last Name = 'shih' and Initial = 'j'   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50020580 (1-[2-(3-Azido-phenyl)-ethyl]-4-(3-trifluoromethyl-...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2cccc(c2)N=[N+]=[N-])CC1 Show InChI InChI=1S/C19H20F3N5/c20-19(21,22)16-4-2-6-18(14-16)27-11-9-26(10-12-27)8-7-15-3-1-5-17(13-15)24-25-23/h1-6,13-14H,7-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]-DPAT (1 nM) binding to 5-HT1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50020580 (1-[2-(3-Azido-phenyl)-ethyl]-4-(3-trifluoromethyl-...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2cccc(c2)N=[N+]=[N-])CC1 Show InChI InChI=1S/C19H20F3N5/c20-19(21,22)16-4-2-6-18(14-16)27-11-9-26(10-12-27)8-7-15-3-1-5-17(13-15)24-25-23/h1-6,13-14H,7-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]-DPAT (1 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50020579 (3-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...) Show SMILES Nc1cccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C19H22F3N3/c20-19(21,22)16-4-2-6-18(14-16)25-11-9-24(10-12-25)8-7-15-3-1-5-17(23)13-15/h1-6,13-14H,7-12,23H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-HT1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50020579 (3-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...) Show SMILES Nc1cccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C19H22F3N3/c20-19(21,22)16-4-2-6-18(14-16)25-11-9-24(10-12-25)8-7-15-3-1-5-17(23)13-15/h1-6,13-14H,7-12,23H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]-DPAT (1 nM) binding to 5-HT1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50020578 (1-[2-(4-Azido-3-iodo-phenyl)-ethyl]-4-(3-trifluoro...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2ccc(N=[N+]=[N-])c(I)c2)CC1 Show InChI InChI=1S/C19H19F3IN5/c20-19(21,22)15-2-1-3-16(13-15)28-10-8-27(9-11-28)7-6-14-4-5-18(25-26-24)17(23)12-14/h1-5,12-13H,6-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-HT1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50020581 (2-Iodo-4-{2-[4-(3-trifluoromethyl-phenyl)-piperazi...) Show SMILES Nc1ccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1I Show InChI InChI=1S/C19H21F3IN3/c20-19(21,22)15-2-1-3-16(13-15)26-10-8-25(9-11-26)7-6-14-4-5-18(24)17(23)12-14/h1-5,12-13H,6-11,24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50020578 (1-[2-(4-Azido-3-iodo-phenyl)-ethyl]-4-(3-trifluoro...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2ccc(N=[N+]=[N-])c(I)c2)CC1 Show InChI InChI=1S/C19H19F3IN5/c20-19(21,22)15-2-1-3-16(13-15)28-10-8-27(9-11-28)7-6-14-4-5-18(25-26-24)17(23)12-14/h1-5,12-13H,6-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-HT1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50020581 (2-Iodo-4-{2-[4-(3-trifluoromethyl-phenyl)-piperazi...) Show SMILES Nc1ccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1I Show InChI InChI=1S/C19H21F3IN3/c20-19(21,22)15-2-1-3-16(13-15)26-10-8-25(9-11-26)7-6-14-4-5-18(24)17(23)12-14/h1-5,12-13H,6-11,24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-HT1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50603177 (CHEMBL5200566) Show SMILES CN(CCCOc1cc(NC(=O)CCCCCCCCC(=O)NO)ccc1Cl)CC#C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01726 BindingDB Entry DOI: 10.7270/Q2FJ2MVK
					More data for this Ligand-Target Pair
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557765 (CHEMBL4791414) Show SMILES Cn1cc(cn1)-c1nc2c(cnn2cc1OCC(C)(C)O)-c1ccnc(OC2CC2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50603180 (CHEMBL5178014) Show SMILES CN(CCCOc1cc(NCc2ccc(cc2)C(=O)NO)ccc1Cl)CC#C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01726 BindingDB Entry DOI: 10.7270/Q2FJ2MVK
					More data for this Ligand-Target Pair
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557761 (CHEMBL4758580) Show SMILES COc1cn2ncc(-c3ccnc(OC(C)C)c3)c2nc1-c1cnn(C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
					More data for this Ligand-Target Pair
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557764 (CHEMBL4787891) Show SMILES COc1cn2ncc(-c3ccnc(OC4CCC4)c3)c2nc1-c1cnn(C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
					More data for this Ligand-Target Pair
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557766 (CHEMBL4751832) Show SMILES Cn1cc(cn1)-c1nc2c(cnn2cc1OCCC(C)(C)O)-c1ccnc(OC2CC2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01726 BindingDB Entry DOI: 10.7270/Q2FJ2MVK
					More data for this Ligand-Target Pair				3D Structure (crystal)
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557753 (CHEMBL4748097) Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)C(C)C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
					More data for this Ligand-Target Pair
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557760 (CHEMBL4749011) Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)-c1cnn(C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50159537 (CHEMBL3785722) Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1C Show InChI InChI=1S/C28H39N7O3S/c1-17(2)39(36,37)27-24(16-35(6)33-27)30-26-19(4)15-29-28(32-26)31-23-13-18(3)22(14-25(23)38-21-7-8-21)20-9-11-34(5)12-10-20/h13-17,20-21H,7-12H2,1-6H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay				Bioorg Med Chem Lett 26: 1910-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.017 BindingDB Entry DOI: 10.7270/Q26M38QJ
					More data for this Ligand-Target Pair
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557742 (CHEMBL4752199) Show SMILES CNc1nc2c(cnn2cc1OC)-c1ccnc(OC)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50113626 (CHEMBL3604634) Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C27H36ClN7O3S/c1-16(2)39(36,37)26-23(15-35(5)33-26)30-25-21(28)14-29-27(32-25)31-22-12-17(3)20(13-24(22)38-19-6-7-19)18-8-10-34(4)11-9-18/h12-16,18-19H,6-11H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay				Bioorg Med Chem Lett 26: 1910-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.017 BindingDB Entry DOI: 10.7270/Q26M38QJ
					More data for this Ligand-Target Pair
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557756 (CHEMBL4779273) Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)C1CCOC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
					More data for this Ligand-Target Pair
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557755 (CHEMBL4782729) Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)C1CCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
					More data for this Ligand-Target Pair
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557744 (CHEMBL4741185) Show SMILES CCc1cn2ncc(-c3ccnc(OC)c3)c2nc1NC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
					More data for this Ligand-Target Pair
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557763 (CHEMBL4744618) Show SMILES COc1cn2ncc(-c3ccnc(OC4CC4)c3)c2nc1-c1cnn(C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50113514 (CHEMBL3604652) Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(CCN(C)C)cc2OC2CC2)ncc1Cl Show InChI InChI=1S/C25H34ClN7O3S/c1-15(2)37(34,35)24-21(14-33(6)31-24)28-23-19(26)13-27-25(30-23)29-20-11-16(3)17(9-10-32(4)5)12-22(20)36-18-7-8-18/h11-15,18H,7-10H2,1-6H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay				Bioorg Med Chem Lett 25: 3738-43 (2015) Article DOI: 10.1016/j.bmcl.2015.06.021 BindingDB Entry DOI: 10.7270/Q208674B
					More data for this Ligand-Target Pair
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557767 (CHEMBL4764221) Show SMILES Cn1cc(cn1)-c1nc2c(cnn2cc1OCCCC(C)(C)O)-c1ccnc(OC2CC2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50113627 (CHEMBL3604633) Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCNCC2)ncc1Cl Show InChI InChI=1S/C26H34ClN7O3S/c1-15(2)38(35,36)25-22(14-34(4)33-25)30-24-20(27)13-29-26(32-24)31-21-11-16(3)19(17-7-9-28-10-8-17)12-23(21)37-18-5-6-18/h11-15,17-18,28H,5-10H2,1-4H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay				Bioorg Med Chem Lett 25: 3738-43 (2015) Article DOI: 10.1016/j.bmcl.2015.06.021 BindingDB Entry DOI: 10.7270/Q208674B
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50113626 (CHEMBL3604634) Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C27H36ClN7O3S/c1-16(2)39(36,37)26-23(15-35(5)33-26)30-25-21(28)14-29-27(32-25)31-22-12-17(3)20(13-24(22)38-19-6-7-19)18-8-10-34(4)11-9-18/h12-16,18-19H,6-11H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay				Bioorg Med Chem Lett 25: 3738-43 (2015) Article DOI: 10.1016/j.bmcl.2015.06.021 BindingDB Entry DOI: 10.7270/Q208674B
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50113518 (CHEMBL3604646) Show SMILES CC(C)Oc1cc(C2CN(C)C2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C25H34ClN7O3S/c1-14(2)36-22-9-18(17-11-32(6)12-17)16(5)8-20(22)29-25-27-10-19(26)23(30-25)28-21-13-33(7)31-24(21)37(34,35)15(3)4/h8-10,13-15,17H,11-12H2,1-7H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay				Bioorg Med Chem Lett 25: 3738-43 (2015) Article DOI: 10.1016/j.bmcl.2015.06.021 BindingDB Entry DOI: 10.7270/Q208674B
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50159539 (CHEMBL3787598) Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1F Show InChI InChI=1S/C27H36FN7O3S/c1-16(2)39(36,37)26-23(15-35(5)33-26)30-25-21(28)14-29-27(32-25)31-22-12-17(3)20(13-24(22)38-19-6-7-19)18-8-10-34(4)11-9-18/h12-16,18-19H,6-11H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay				Bioorg Med Chem Lett 26: 1910-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.017 BindingDB Entry DOI: 10.7270/Q26M38QJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of azido-[125I]-IPAPP (0.25 nM) binding to 5-HT1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50113508 (CHEMBL3604649) Show SMILES CC(C)N1CCC(CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C Show InChI InChI=1S/C29H40ClN7O3S/c1-17(2)37-11-9-20(10-12-37)22-14-26(40-21-7-8-21)24(13-19(22)5)33-29-31-15-23(30)27(34-29)32-25-16-36(6)35-28(25)41(38,39)18(3)4/h13-18,20-21H,7-12H2,1-6H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay				Bioorg Med Chem Lett 25: 3738-43 (2015) Article DOI: 10.1016/j.bmcl.2015.06.021 BindingDB Entry DOI: 10.7270/Q208674B
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50159541 (CHEMBL3785890) Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1C#N Show InChI InChI=1S/C28H36N8O3S/c1-17(2)40(37,38)27-24(16-36(5)34-27)31-26-20(14-29)15-30-28(33-26)32-23-12-18(3)22(13-25(23)39-21-6-7-21)19-8-10-35(4)11-9-19/h12-13,15-17,19,21H,6-11H2,1-5H3,(H2,30,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay				Bioorg Med Chem Lett 26: 1910-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.017 BindingDB Entry DOI: 10.7270/Q26M38QJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]-DPAT (1 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50020582 (CHEMBL284820 | Dipropyl-(1,2,3,4-tetrahydro-naphth...) Show SMILES CCCN(CCC)C1CCc2ccccc2C1 Show InChI InChI=1S/C16H25N/c1-3-11-17(12-4-2)16-10-9-14-7-5-6-8-15(14)13-16/h5-8,16H,3-4,9-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [125I]-IPAPP (2.5 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
					More data for this Ligand-Target Pair
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557746 (CHEMBL4779579) Show SMILES CNc1nc2c(cnn2cc1C)-c1ccnc(OC)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
					More data for this Ligand-Target Pair
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557759 (CHEMBL4763627) Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)-c1cc(C)no1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
					More data for this Ligand-Target Pair
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557745 (CHEMBL4741913) Show SMILES CNc1nc2c(cnn2cc1C=C)-c1ccnc(OC)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50159514 (CHEMBL3785607) Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCS(=O)(=O)CC2)ncc1Cl Show InChI InChI=1S/C26H33ClN6O5S2/c1-15(2)40(36,37)25-22(14-33(4)32-25)29-24-20(27)13-28-26(31-24)30-21-11-16(3)19(12-23(21)38-18-5-6-18)17-7-9-39(34,35)10-8-17/h11-15,17-18H,5-10H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay				Bioorg Med Chem Lett 26: 1910-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.017 BindingDB Entry DOI: 10.7270/Q26M38QJ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50159522 (CHEMBL3785711) Show SMILES CC(C)CS(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC(C)C)C2CCNCC2)ncc1Cl Show InChI InChI=1S/C27H38ClN7O3S/c1-16(2)15-39(36,37)26-23(14-35(6)34-26)31-25-21(28)13-30-27(33-25)32-22-11-18(5)20(12-24(22)38-17(3)4)19-7-9-29-10-8-19/h11-14,16-17,19,29H,7-10,15H2,1-6H3,(H2,30,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay				Bioorg Med Chem Lett 26: 1910-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.017 BindingDB Entry DOI: 10.7270/Q26M38QJ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50159531 (CHEMBL3786148) Show SMILES CN1CCC(CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3C#N)n2)cc1C Show InChI InChI=1S/C25H29ClN8O/c1-15-10-20(23(35-17-4-5-17)11-18(15)16-6-8-33(2)9-7-16)30-25-28-13-19(26)24(31-25)29-22-14-34(3)32-21(22)12-27/h10-11,13-14,16-17H,4-9H2,1-3H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay				Bioorg Med Chem Lett 26: 1910-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.017 BindingDB Entry DOI: 10.7270/Q26M38QJ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50113522 (CHEMBL3604642) Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(F)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C26H33ClFN7O3S/c1-15(2)39(36,37)25-22(14-35(4)33-25)30-24-19(27)13-29-26(32-24)31-21-12-20(28)18(11-23(21)38-17-5-6-17)16-7-9-34(3)10-8-16/h11-17H,5-10H2,1-4H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay				Bioorg Med Chem Lett 25: 3738-43 (2015) Article DOI: 10.1016/j.bmcl.2015.06.021 BindingDB Entry DOI: 10.7270/Q208674B
					More data for this Ligand-Target Pair
TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557757 (CHEMBL4792464) Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)[C@H]1COC(C)(C)C1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50113510 (CHEMBL3604656) Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCCN(C)C2)ncc1Cl Show InChI InChI=1S/C27H36ClN7O3S/c1-16(2)39(36,37)26-23(15-35(5)33-26)30-25-21(28)13-29-27(32-25)31-22-11-17(3)20(12-24(22)38-19-8-9-19)18-7-6-10-34(4)14-18/h11-13,15-16,18-19H,6-10,14H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay				Bioorg Med Chem Lett 25: 3738-43 (2015) Article DOI: 10.1016/j.bmcl.2015.06.021 BindingDB Entry DOI: 10.7270/Q208674B
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50113523 (CHEMBL3604641) Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2ccc(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C26H34ClN7O3S/c1-16(2)38(35,36)25-22(15-34(4)32-25)29-24-20(27)14-28-26(31-24)30-21-8-5-18(13-23(21)37-19-6-7-19)17-9-11-33(3)12-10-17/h5,8,13-17,19H,6-7,9-12H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay				Bioorg Med Chem Lett 25: 3738-43 (2015) Article DOI: 10.1016/j.bmcl.2015.06.021 BindingDB Entry DOI: 10.7270/Q208674B
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50159536 (CHEMBL3786916) Show SMILES CC(C)S(=O)(=O)c1sc(C)nc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C27H35ClN6O3S2/c1-15(2)39(35,36)26-25(30-17(4)38-26)32-24-21(28)14-29-27(33-24)31-22-12-16(3)20(13-23(22)37-19-6-7-19)18-8-10-34(5)11-9-18/h12-15,18-19H,6-11H2,1-5H3,(H2,29,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay				Bioorg Med Chem Lett 26: 1910-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.017 BindingDB Entry DOI: 10.7270/Q26M38QJ
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5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50020580 (1-[2-(3-Azido-phenyl)-ethyl]-4-(3-trifluoromethyl-...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2cccc(c2)N=[N+]=[N-])CC1 Show InChI InChI=1S/C19H20F3N5/c20-19(21,22)16-4-2-6-18(14-16)27-11-9-26(10-12-27)8-7-15-3-1-5-17(13-15)24-25-23/h1-6,13-14H,7-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]-DPAT (1 nM) binding to 5-HT1A receptor from bovine hippocampus				J Med Chem 32: 543-7 (1989) BindingDB Entry DOI: 10.7270/Q2H41QD3
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TGF-beta receptor type-2 (Homo sapiens (Human))	BDBM50557754 (CHEMBL4764416) Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)C(C)(C)O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00679 BindingDB Entry DOI: 10.7270/Q2PG1WD5
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