Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'takayama' and Initial = 'k'   

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
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095997 (3',4',7-trihydroxyisoflavone | CHEMBL13486) Show SMILES Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096004 (7-Hydroxy-3-[4-(2-oxo-2H-chromen-3-yl)-thiazol-2-y...) Show SMILES Oc1ccc2cc(-c3nc(cs3)-c3cc4ccccc4oc3=O)c(=O)oc2c1 Show InChI InChI=1S/C21H11NO5S/c23-13-6-5-12-8-15(21(25)27-18(12)9-13)19-22-16(10-28-19)14-7-11-3-1-2-4-17(11)26-20(14)24/h1-10,23H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096003 (7-Hydroxy-3-phenyl-chromen-2-one | 7-hydroxy-3-phe...) Show SMILES Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1 Show InChI InChI=1S/C15H10O3/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9,16H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096001 (7-Hydroxy-3-pyrazolo[1,5-a]pyridin-2-yl-chromen-2-...) Show SMILES Oc1ccc2cc(-c3cc4ccccn4n3)c(=O)oc2c1 Show InChI InChI=1S/C16H10N2O3/c19-12-5-4-10-7-13(16(20)21-15(10)9-12)14-8-11-3-1-2-6-18(11)17-14/h1-9,19H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095993 (7-Hydroxy-2-oxo-2H-chromene-3-carbothioic acid ami...) Show SMILES NC(=S)c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C10H7NO3S/c11-9(15)7-3-5-1-2-6(12)4-8(5)14-10(7)13/h1-4,12H,(H2,11,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096002 (3-(4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl)-7-hydroxy...) Show SMILES Oc1ccc2cc(-c3nc(cs3)-c3ccc4OCOc4c3)c(=O)oc2c1 Show InChI InChI=1S/C19H11NO5S/c21-12-3-1-11-5-13(19(22)25-16(11)7-12)18-20-14(8-26-18)10-2-4-15-17(6-10)24-9-23-15/h1-8,21H,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096007 (2-Oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl...) Show SMILES O=C(COC(=O)c1cc2ccccc2oc1=O)c1ccccc1 Show InChI InChI=1S/C18H12O5/c19-15(12-6-2-1-3-7-12)11-22-17(20)14-10-13-8-4-5-9-16(13)23-18(14)21/h1-10H,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096006 (7-Hydroxy-3-(2-methyl-thiazol-4-yl)-chromen-2-one ...) Show SMILES Cc1nc(cs1)-c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C13H9NO3S/c1-7-14-11(6-18-7)10-4-8-2-3-9(15)5-12(8)17-13(10)16/h2-6,15H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096000 (3-(2-Fluoro-4-hydroxy-phenyl)-acrylic acid anion) Show SMILES Oc1ccc(\C=C\C([O-])=O)c(F)c1 Show InChI InChI=1S/C9H7FO3/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1-5,11H,(H,12,13)/p-1/b4-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) Show SMILES Oc1ccc2cc(C#N)c(=O)oc2c1 Show InChI InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096005 (7-Hydroxy-3-(4-methyl-thiazol-2-yl)-chromen-2-one ...) Show SMILES Cc1csc(n1)-c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C13H9NO3S/c1-7-6-18-12(14-7)10-4-8-2-3-9(15)5-11(8)17-13(10)16/h2-6,15H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096008 (3-Acetyl-7-hydroxy-chromen-2-one | 3-acetyl-7-hydr...) Show SMILES CC(=O)c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C11H8O4/c1-6(12)9-4-7-2-3-8(13)5-10(7)15-11(9)14/h2-5,13H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095996 (3-(7-Hydroxy-2-oxo-2H-chromen-3-yl)-3-oxo-propioni...) Show SMILES CCOC(=O)CC(=O)c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C14H12O6/c1-2-19-13(17)7-11(16)10-5-8-3-4-9(15)6-12(8)20-14(10)18/h3-6,15H,2,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096009 (3-(4-Dimethylamino-benzylidene)-chroman-2,4-dione ...) Show SMILES CN(C)c1ccc(\C=C2/C(=O)Oc3ccccc3C2=O)cc1 Show InChI InChI=1S/C18H15NO3/c1-19(2)13-9-7-12(8-10-13)11-15-17(20)14-5-3-4-6-16(14)22-18(15)21/h3-11H,1-2H3/b15-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095995 (7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL E...) Show SMILES CCOC(=O)c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50608178 (CHEMBL5268044) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(C)C)NC(=O)CCc1cn(CCN2CCCc3cc(\C=C\C4=C(Br)C(\C=C\c5cc6CCCN7CCCc(c5)c67)=[O+][B-](F)(O4)C(F)(F)F)ccc23)nn1)C1CCCCC1)[C@H](C)CC)C1CCCCC1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCc1ccccc1)C(N)=O |r,c:112,133| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50608179 (CHEMBL5285634) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CC(c1ccccc1)c1ccccc1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cn(CCN2CCCc3cc(\C=C\C4=C(Br)C(\C=C\c5cc6CCCN7CCCc(c5)c67)=[O+][B-](F)(O4)C(F)(F)F)ccc23)nn1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:158,179| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50539387 (CHEMBL4648474) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C124H211N41O31/c1-15-63(9)94(116(192)151-77(32-22-24-48-126)107(183)162-95(64(10)16-2)117(193)153-82(42-45-91(129)171)109(185)164-97(66(12)18-4)119(195)158-85(54-62(7)8)111(187)159-88(59-166)114(190)148-76(31-21-23-47-125)104(180)155-84(53-61(5)6)110(186)146-75(99(131)175)33-25-49-140-121(132)133)161-100(176)67(13)145-102(178)83(43-46-93(173)174)154-118(194)96(65(11)17-3)163-108(184)80(36-28-52-143-124(138)139)149-115(191)89(60-167)160-112(188)86(55-69-37-39-71(169)40-38-69)156-105(181)79(35-27-51-142-123(136)137)152-120(196)98(68(14)168)165-113(189)87(57-92(130)172)157-106(182)81(41-44-90(128)170)150-103(179)78(34-26-50-141-122(134)135)147-101(177)73(127)56-70-58-144-74-30-20-19-29-72(70)74/h19-20,29-30,37-40,58,61-68,73,75-89,94-98,144,166-169H,15-18,21-28,31-36,41-57,59-60,125-127H2,1-14H3,(H2,128,170)(H2,129,171)(H2,130,172)(H2,131,175)(H,145,178)(H,146,186)(H,147,177)(H,148,190)(H,149,191)(H,150,179)(H,151,192)(H,152,196)(H,153,193)(H,154,194)(H,155,180)(H,156,181)(H,157,182)(H,158,195)(H,159,187)(H,160,188)(H,161,176)(H,162,183)(H,163,184)(H,164,185)(H,165,189)(H,173,174)(H4,132,133,140)(H4,134,135,141)(H4,136,137,142)(H4,138,139,143)/t63-,64-,65-,66-,67-,68+,73-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,94-,95-,96-,97-,98-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of myostatin (unknown origin) expressed in HEK293 cells incubated for 4 hrs by dual luciferase reporter gene assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126892 BindingDB Entry DOI: 10.7270/Q2G73J8Q
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50525413 (CHEMBL4448117) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C114H173N29O19/c1-9-64(6)92(140-105(155)87(55-67-44-46-73(145)47-45-67)135-98(148)77(117)56-70-59-126-78-37-21-18-34-74(70)78)109(159)131-84(43-29-53-125-114(122)123)100(150)136-89(58-72-61-128-80-39-23-20-36-76(72)80)106(156)141-93(65(7)10-2)108(158)130-82(41-25-27-51-116)102(152)143-96(69-32-16-13-17-33-69)112(162)133-85(48-49-91(118)146)103(153)139-94(66(8)11-3)110(160)137-88(57-71-60-127-79-38-22-19-35-75(71)79)104(154)138-90(62-144)107(157)129-81(40-24-26-50-115)101(151)142-95(68-30-14-12-15-31-68)111(161)132-83(42-28-52-124-113(120)121)99(149)134-86(97(119)147)54-63(4)5/h18-23,34-39,44-47,59-61,63-66,68-69,77,81-90,92-96,126-128,144-145H,9-17,24-33,40-43,48-58,62,115-117H2,1-8H3,(H2,118,146)(H2,119,147)(H,129,157)(H,130,158)(H,131,159)(H,132,161)(H,133,162)(H,134,149)(H,135,148)(H,136,150)(H,137,160)(H,138,154)(H,139,153)(H,140,155)(H,141,156)(H,142,151)(H,143,152)(H4,120,121,124)(H4,122,123,125)/t64-,65-,66-,77-,81-,82-,83-,84-,85-,86-,87-,88-,89+,90-,92-,93-,94-,95-,96-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of myostatin (unknown origin) expressed in HEK293 cells incubated for 4 hrs by dual luciferase reporter gene assay				ACS Med Chem Lett 10: 985-990 (2019) Article DOI: 10.1021/acsmedchemlett.9b00174 BindingDB Entry DOI: 10.7270/Q2V1287X
					More data for this Ligand-Target Pair
Death-associated protein kinase 3 (Homo sapiens (Human))	BDBM50314672 (2-(3-bromophenyl)-4-(pyridin-3-ylmethylene)oxazol-...) Show SMILES Brc1cccc(c1)C1=N\C(=C/c2cccnc2)C(=O)O1 |t:8| Show InChI InChI=1S/C15H9BrN2O2/c16-12-5-1-4-11(8-12)14-18-13(15(19)20-14)7-10-3-2-6-17-9-10/h1-9H/b13-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAPK3				Bioorg Med Chem 18: 2728-34 (2010) Article DOI: 10.1016/j.bmc.2010.02.018 BindingDB Entry DOI: 10.7270/Q2RB74R2
					More data for this Ligand-Target Pair
Death-associated protein kinase 3 (Homo sapiens (Human))	BDBM50314673 (2-(2-bromo-4-methoxyphenyl)-4-(pyridin-3-ylmethyle...) Show SMILES COc1ccc(C2=N\C(=C/c3cccnc3)C(=O)O2)c(Br)c1 |t:6| Show InChI InChI=1S/C16H11BrN2O3/c1-21-11-4-5-12(13(17)8-11)15-19-14(16(20)22-15)7-10-3-2-6-18-9-10/h2-9H,1H3/b14-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAPK3				Bioorg Med Chem 18: 2728-34 (2010) Article DOI: 10.1016/j.bmc.2010.02.018 BindingDB Entry DOI: 10.7270/Q2RB74R2
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50585028 (CHEMBL5078185) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](C1CCCCC1)C(=O)N[C@H](CCCCN)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of myostatin (unknown origin) expressed in HEK293 cells transfected with Smad2/3 responsive reporter plasmid incubated for 4 hrs by dual l...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00705 BindingDB Entry DOI: 10.7270/Q28S4TT7
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50585028 (CHEMBL5078185) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](C1CCCCC1)C(=O)N[C@H](CCCCN)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Death-associated protein kinase 3 (Homo sapiens (Human))	BDBM50314664 (2-(2-chloro-5-iodophenyl)-4-(pyridin-4-ylmethylene...) Show SMILES Clc1ccc(I)cc1C1=N\C(=C/c2ccncc2)C(=O)O1 |t:9| Show InChI InChI=1S/C15H8ClIN2O2/c16-12-2-1-10(17)8-11(12)14-19-13(15(20)21-14)7-9-3-5-18-6-4-9/h1-8H/b13-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAPK3				Bioorg Med Chem 18: 2728-34 (2010) Article DOI: 10.1016/j.bmc.2010.02.018 BindingDB Entry DOI: 10.7270/Q2RB74R2
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50525413 (CHEMBL4448117) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C114H173N29O19/c1-9-64(6)92(140-105(155)87(55-67-44-46-73(145)47-45-67)135-98(148)77(117)56-70-59-126-78-37-21-18-34-74(70)78)109(159)131-84(43-29-53-125-114(122)123)100(150)136-89(58-72-61-128-80-39-23-20-36-76(72)80)106(156)141-93(65(7)10-2)108(158)130-82(41-25-27-51-116)102(152)143-96(69-32-16-13-17-33-69)112(162)133-85(48-49-91(118)146)103(153)139-94(66(8)11-3)110(160)137-88(57-71-60-127-79-38-22-19-35-75(71)79)104(154)138-90(62-144)107(157)129-81(40-24-26-50-115)101(151)142-95(68-30-14-12-15-31-68)111(161)132-83(42-28-52-124-113(120)121)99(149)134-86(97(119)147)54-63(4)5/h18-23,34-39,44-47,59-61,63-66,68-69,77,81-90,92-96,126-128,144-145H,9-17,24-33,40-43,48-58,62,115-117H2,1-8H3,(H2,118,146)(H2,119,147)(H,129,157)(H,130,158)(H,131,159)(H,132,161)(H,133,162)(H,134,149)(H,135,148)(H,136,150)(H,137,160)(H,138,154)(H,139,153)(H,140,155)(H,141,156)(H,142,151)(H,143,152)(H4,120,121,124)(H4,122,123,125)/t64-,65-,66-,77-,81-,82-,83-,84-,85-,86-,87-,88-,89+,90-,92-,93-,94-,95-,96-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of myostatin (unknown origin) expressed in HEK293 cells transfected with Smad2/3 responsive reporter plasmid incubated for 4 hrs by dual l...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00705 BindingDB Entry DOI: 10.7270/Q28S4TT7
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50537170 (CHEMBL4516740) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1COC(=O)CCCC(=O)OC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COc2ccc3ccccc3c2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C143H228N40O35/c1-16-76(10)112(135(211)169-97(53-56-107(147)188)127(203)180-116(80(14)20-5)138(214)182-115(79(13)19-4)137(213)175-103(70-184)131(207)164-91(38-25-27-58-144)121(197)172-100(65-75(8)9)128(204)163-93(41-31-61-158-141(151)152)120(196)171-99(118(148)194)64-74(6)7)178-125(201)92(39-26-28-59-145)167-134(210)114(78(12)18-3)181-130(206)102(68-85-69-161-89-37-24-23-36-88(85)89)174-123(199)98(54-57-109(190)191)170-136(212)113(77(11)17-2)179-126(202)95(43-33-63-160-143(155)156)165-132(208)104-71-217-110(192)44-29-45-111(193)218-72-105(133(209)183-117(81(15)185)139(215)168-94(42-32-62-159-142(153)154)122(198)173-101(129(205)177-104)66-82-46-49-86(186)50-47-82)176-124(200)96(52-55-106(146)187)166-119(195)90(40-30-60-157-140(149)150)162-108(189)73-216-87-51-48-83-34-21-22-35-84(83)67-87/h21-24,34-37,46-51,67,69,74-81,90-105,112-117,161,184-186H,16-20,25-33,38-45,52-66,68,70-73,144-145H2,1-15H3,(H2,146,187)(H2,147,188)(H2,148,194)(H,162,189)(H,163,204)(H,164,207)(H,165,208)(H,166,195)(H,167,210)(H,168,215)(H,169,211)(H,170,212)(H,171,196)(H,172,197)(H,173,198)(H,174,199)(H,175,213)(H,176,200)(H,177,205)(H,178,201)(H,179,202)(H,180,203)(H,181,206)(H,182,214)(H,183,209)(H,190,191)(H4,149,150,157)(H4,151,152,158)(H4,153,154,159)(H4,155,156,160)/t76-,77-,78-,79-,80-,81+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,112-,113-,114-,115-,116-,117-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of myostatin (unknown origin) expressed in HEK293 cells after 4 hrs by dual luciferase reporter gene assay				Bioorg Med Chem 27: 1437-1443 (2019) Article DOI: 10.1016/j.bmc.2019.02.019 BindingDB Entry DOI: 10.7270/Q2W099FN
					More data for this Ligand-Target Pair
Death-associated protein kinase 3 (Homo sapiens (Human))	BDBM50314665 (2-(4-chloro-3-nitrophenyl)-4-(pyridin-3-ylmethylen...) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)C1=N\C(=C/c2cccnc2)C(=O)O1 |t:11| Show InChI InChI=1S/C15H8ClN3O4/c16-11-4-3-10(7-13(11)19(21)22)14-18-12(15(20)23-14)6-9-2-1-5-17-8-9/h1-8H/b12-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	279	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAPK3				Bioorg Med Chem 18: 2728-34 (2010) Article DOI: 10.1016/j.bmc.2010.02.018 BindingDB Entry DOI: 10.7270/Q2RB74R2
					More data for this Ligand-Target Pair
Death-associated protein kinase 3 (Homo sapiens (Human))	BDBM50314670 (2-(4-bromo-3-methylphenyl)-4-(pyridin-3-ylmethylen...) Show SMILES Cc1cc(ccc1Br)C1=N\C(=C/c2cccnc2)C(=O)O1 |t:9| Show InChI InChI=1S/C16H11BrN2O2/c1-10-7-12(4-5-13(10)17)15-19-14(16(20)21-15)8-11-3-2-6-18-9-11/h2-9H,1H3/b14-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	279	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAPK3				Bioorg Med Chem 18: 2728-34 (2010) Article DOI: 10.1016/j.bmc.2010.02.018 BindingDB Entry DOI: 10.7270/Q2RB74R2
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50254771 (CHEMBL4061416) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COc1ccc2ccccc2c1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C139H225N41O33/c1-16-73(10)108(131(208)166-94(50-53-104(143)186)123(200)177-112(77(14)20-5)134(211)179-111(76(13)19-4)133(210)174-102(69-182)129(206)161-88(37-25-27-55-140)117(194)169-97(62-72(8)9)124(201)160-90(40-30-58-155-137(148)149)116(193)168-96(114(145)191)61-71(6)7)175-121(198)89(38-26-28-56-141)164-130(207)110(75(12)18-3)178-126(203)99(65-82-67-158-86-36-24-23-35-85(82)86)171-120(197)95(51-54-107(189)190)167-132(209)109(74(11)17-2)176-122(199)92(42-32-60-157-139(152)153)162-128(205)101(68-181)173-125(202)98(63-79-43-46-83(184)47-44-79)170-118(195)91(41-31-59-156-138(150)151)165-135(212)113(78(15)183)180-127(204)100(66-105(144)187)172-119(196)93(49-52-103(142)185)163-115(192)87(39-29-57-154-136(146)147)159-106(188)70-213-84-48-45-80-33-21-22-34-81(80)64-84/h21-24,33-36,43-48,64,67,71-78,87-102,108-113,158,181-184H,16-20,25-32,37-42,49-63,65-66,68-70,140-141H2,1-15H3,(H2,142,185)(H2,143,186)(H2,144,187)(H2,145,191)(H,159,188)(H,160,201)(H,161,206)(H,162,205)(H,163,192)(H,164,207)(H,165,212)(H,166,208)(H,167,209)(H,168,193)(H,169,194)(H,170,195)(H,171,197)(H,172,196)(H,173,202)(H,174,210)(H,175,198)(H,176,199)(H,177,200)(H,178,203)(H,179,211)(H,180,204)(H,189,190)(H4,146,147,154)(H4,148,149,155)(H4,150,151,156)(H4,152,153,157)/t73-,74-,75-,76-,77-,78+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,108-,109-,110-,111-,112-,113-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of myostatin (unknown origin) expressed in HEK293 cells incubated for 4 hrs by dual luciferase reporter gene assay				ACS Med Chem Lett 10: 985-990 (2019) Article DOI: 10.1021/acsmedchemlett.9b00174 BindingDB Entry DOI: 10.7270/Q2V1287X
					More data for this Ligand-Target Pair
Death-associated protein kinase 3 (Homo sapiens (Human))	BDBM50314671 (2-(4-nitrophenyl)-4-(pyridin-3-ylmethylene)oxazol-...) Show SMILES [O-][N+](=O)c1ccc(cc1)C1=N\C(=C/c2cccnc2)C(=O)O1 |t:10| Show InChI InChI=1S/C15H9N3O4/c19-15-13(8-10-2-1-7-16-9-10)17-14(22-15)11-3-5-12(6-4-11)18(20)21/h1-9H/b13-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	291	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAPK3				Bioorg Med Chem 18: 2728-34 (2010) Article DOI: 10.1016/j.bmc.2010.02.018 BindingDB Entry DOI: 10.7270/Q2RB74R2
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50585029 (CHEMBL5092917) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@H](N)CCCNC(N)=N)C1CCCCC1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](CCCCN)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of myostatin (unknown origin) expressed in HEK293 cells transfected with Smad2/3 responsive reporter plasmid incubated for 4 hrs by dual l...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00705 BindingDB Entry DOI: 10.7270/Q28S4TT7
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50254771 (CHEMBL4061416) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COc1ccc2ccccc2c1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C139H225N41O33/c1-16-73(10)108(131(208)166-94(50-53-104(143)186)123(200)177-112(77(14)20-5)134(211)179-111(76(13)19-4)133(210)174-102(69-182)129(206)161-88(37-25-27-55-140)117(194)169-97(62-72(8)9)124(201)160-90(40-30-58-155-137(148)149)116(193)168-96(114(145)191)61-71(6)7)175-121(198)89(38-26-28-56-141)164-130(207)110(75(12)18-3)178-126(203)99(65-82-67-158-86-36-24-23-35-85(82)86)171-120(197)95(51-54-107(189)190)167-132(209)109(74(11)17-2)176-122(199)92(42-32-60-157-139(152)153)162-128(205)101(68-181)173-125(202)98(63-79-43-46-83(184)47-44-79)170-118(195)91(41-31-59-156-138(150)151)165-135(212)113(78(15)183)180-127(204)100(66-105(144)187)172-119(196)93(49-52-103(142)185)163-115(192)87(39-29-57-154-136(146)147)159-106(188)70-213-84-48-45-80-33-21-22-34-81(80)64-84/h21-24,33-36,43-48,64,67,71-78,87-102,108-113,158,181-184H,16-20,25-32,37-42,49-63,65-66,68-70,140-141H2,1-15H3,(H2,142,185)(H2,143,186)(H2,144,187)(H2,145,191)(H,159,188)(H,160,201)(H,161,206)(H,162,205)(H,163,192)(H,164,207)(H,165,212)(H,166,208)(H,167,209)(H,168,193)(H,169,194)(H,170,195)(H,171,197)(H,172,196)(H,173,202)(H,174,210)(H,175,198)(H,176,199)(H,177,200)(H,178,203)(H,179,211)(H,180,204)(H,189,190)(H4,146,147,154)(H4,148,149,155)(H4,150,151,156)(H4,152,153,157)/t73-,74-,75-,76-,77-,78+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,108-,109-,110-,111-,112-,113-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Department of Drug Delivery and Molecular Biopharmaceutics, Tokyo University of Pharmacy and Life Sciences, Hachioji, Tokyo 192-0392, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant myostatin (unknown origin) expressed in HEK293 cells after 4 hrs by dual-luciferase reporter gene assay				ACS Med Chem Lett 8: 751-756 (2017) Article DOI: 10.1021/acsmedchemlett.7b00168 BindingDB Entry DOI: 10.7270/Q2QC05ZJ
					More data for this Ligand-Target Pair
Death-associated protein kinase 3 (Homo sapiens (Human))	BDBM50314668 (2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylene)ox...) Show SMILES Fc1ccc(cc1F)C1=N\C(=C/c2cccnc2)C(=O)O1 |t:9| Show InChI InChI=1S/C15H8F2N2O2/c16-11-4-3-10(7-12(11)17)14-19-13(15(20)21-14)6-9-2-1-5-18-8-9/h1-8H/b13-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	346	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAPK3				Bioorg Med Chem 18: 2728-34 (2010) Article DOI: 10.1016/j.bmc.2010.02.018 BindingDB Entry DOI: 10.7270/Q2RB74R2
					More data for this Ligand-Target Pair
Death-associated protein kinase 3 (Homo sapiens (Human))	BDBM50314669 (2-(3-chlorophenyl)-4-(pyridin-3-ylmethylene)oxazol...) Show SMILES Clc1cccc(c1)C1=N\C(=C/c2cccnc2)C(=O)O1 |t:8| Show InChI InChI=1S/C15H9ClN2O2/c16-12-5-1-4-11(8-12)14-18-13(15(19)20-14)7-10-3-2-6-17-9-10/h1-9H/b13-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAPK3				Bioorg Med Chem 18: 2728-34 (2010) Article DOI: 10.1016/j.bmc.2010.02.018 BindingDB Entry DOI: 10.7270/Q2RB74R2
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50254771 (CHEMBL4061416) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COc1ccc2ccccc2c1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C139H225N41O33/c1-16-73(10)108(131(208)166-94(50-53-104(143)186)123(200)177-112(77(14)20-5)134(211)179-111(76(13)19-4)133(210)174-102(69-182)129(206)161-88(37-25-27-55-140)117(194)169-97(62-72(8)9)124(201)160-90(40-30-58-155-137(148)149)116(193)168-96(114(145)191)61-71(6)7)175-121(198)89(38-26-28-56-141)164-130(207)110(75(12)18-3)178-126(203)99(65-82-67-158-86-36-24-23-35-85(82)86)171-120(197)95(51-54-107(189)190)167-132(209)109(74(11)17-2)176-122(199)92(42-32-60-157-139(152)153)162-128(205)101(68-181)173-125(202)98(63-79-43-46-83(184)47-44-79)170-118(195)91(41-31-59-156-138(150)151)165-135(212)113(78(15)183)180-127(204)100(66-105(144)187)172-119(196)93(49-52-103(142)185)163-115(192)87(39-29-57-154-136(146)147)159-106(188)70-213-84-48-45-80-33-21-22-34-81(80)64-84/h21-24,33-36,43-48,64,67,71-78,87-102,108-113,158,181-184H,16-20,25-32,37-42,49-63,65-66,68-70,140-141H2,1-15H3,(H2,142,185)(H2,143,186)(H2,144,187)(H2,145,191)(H,159,188)(H,160,201)(H,161,206)(H,162,205)(H,163,192)(H,164,207)(H,165,212)(H,166,208)(H,167,209)(H,168,193)(H,169,194)(H,170,195)(H,171,197)(H,172,196)(H,173,202)(H,174,210)(H,175,198)(H,176,199)(H,177,200)(H,178,203)(H,179,211)(H,180,204)(H,189,190)(H4,146,147,154)(H4,148,149,155)(H4,150,151,156)(H4,152,153,157)/t73-,74-,75-,76-,77-,78+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,108-,109-,110-,111-,112-,113-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of myostatin (unknown origin) expressed in HEK293 cells after 4 hrs by dual luciferase reporter gene assay				Bioorg Med Chem 27: 1437-1443 (2019) Article DOI: 10.1016/j.bmc.2019.02.019 BindingDB Entry DOI: 10.7270/Q2W099FN
					More data for this Ligand-Target Pair
Death-associated protein kinase 3 (Homo sapiens (Human))	BDBM50314674 (2-(3-methoxyphenyl)-4-(pyridin-3-ylmethylene)oxazo...) Show SMILES COc1cccc(c1)C1=N\C(=C/c2cccnc2)C(=O)O1 |t:9| Show InChI InChI=1S/C16H12N2O3/c1-20-13-6-2-5-12(9-13)15-18-14(16(19)21-15)8-11-4-3-7-17-10-11/h2-10H,1H3/b14-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	395	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAPK3				Bioorg Med Chem 18: 2728-34 (2010) Article DOI: 10.1016/j.bmc.2010.02.018 BindingDB Entry DOI: 10.7270/Q2RB74R2
					More data for this Ligand-Target Pair
Death-associated protein kinase 3 (Homo sapiens (Human))	BDBM50314667 (2-(4-chlorophenyl)-4-(pyridin-3-ylmethylene)oxazol...) Show SMILES Clc1ccc(cc1)C1=N\C(=C/c2cccnc2)C(=O)O1 |t:8| Show InChI InChI=1S/C15H9ClN2O2/c16-12-5-3-11(4-6-12)14-18-13(15(19)20-14)8-10-2-1-7-17-9-10/h1-9H/b13-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAPK3				Bioorg Med Chem 18: 2728-34 (2010) Article DOI: 10.1016/j.bmc.2010.02.018 BindingDB Entry DOI: 10.7270/Q2RB74R2
					More data for this Ligand-Target Pair
Death-associated protein kinase 3 (Homo sapiens (Human))	BDBM50314675 (2-(4-methyl-3-nitrophenyl)-4-(pyridin-3-ylmethylen...) Show SMILES Cc1ccc(cc1[N+]([O-])=O)C1=N\C(=C/c2cccnc2)C(=O)O1 |t:11| Show InChI InChI=1S/C16H11N3O4/c1-10-4-5-12(8-14(10)19(21)22)15-18-13(16(20)23-15)7-11-3-2-6-17-9-11/h2-9H,1H3/b13-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	534	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAPK3				Bioorg Med Chem 18: 2728-34 (2010) Article DOI: 10.1016/j.bmc.2010.02.018 BindingDB Entry DOI: 10.7270/Q2RB74R2
					More data for this Ligand-Target Pair
Death-associated protein kinase 3 (Homo sapiens (Human))	BDBM50314663 (2-phenyl-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one...) Show SMILES O=C1OC(=N\C1=C/c1cccnc1)c1ccccc1 |c:3| Show InChI InChI=1S/C15H10N2O2/c18-15-13(9-11-5-4-8-16-10-11)17-14(19-15)12-6-2-1-3-7-12/h1-10H/b13-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	583	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAPK3				Bioorg Med Chem 18: 2728-34 (2010) Article DOI: 10.1016/j.bmc.2010.02.018 BindingDB Entry DOI: 10.7270/Q2RB74R2
					More data for this Ligand-Target Pair
Death-associated protein kinase 3 (Homo sapiens (Human))	BDBM50314666 (4-(pyridin-3-ylmethylene)-2-m-tolyloxazol-5(4H)-on...) Show SMILES Cc1cccc(c1)C1=N\C(=C/c2cccnc2)C(=O)O1 |t:8| Show InChI InChI=1S/C16H12N2O2/c1-11-4-2-6-13(8-11)15-18-14(16(19)20-15)9-12-5-3-7-17-10-12/h2-10H,1H3/b14-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	714	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAPK3				Bioorg Med Chem 18: 2728-34 (2010) Article DOI: 10.1016/j.bmc.2010.02.018 BindingDB Entry DOI: 10.7270/Q2RB74R2
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50206029 (CHEMBL3892004) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COc1ccc2ccccc2c1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C131H220N40O33/c1-17-69(11)101(123(199)156-82(34-24-26-52-133)114(190)168-102(70(12)18-2)124(200)158-87(46-49-97(135)177)116(192)170-104(72(14)20-4)126(202)164-91(59-68(9)10)118(194)165-94(63-172)121(197)153-81(33-23-25-51-132)111(187)161-90(58-67(7)8)117(193)152-83(36-28-54-147-129(140)141)110(186)160-89(106(137)182)57-66(5)6)167-107(183)73(15)150-108(184)88(47-50-100(180)181)159-125(201)103(71(13)19-3)169-115(191)85(38-30-56-149-131(144)145)154-122(198)95(64-173)166-119(195)92(60-75-39-42-78(175)43-40-75)162-112(188)84(37-29-55-148-130(142)143)157-127(203)105(74(16)174)171-120(196)93(62-98(136)178)163-113(189)86(45-48-96(134)176)155-109(185)80(35-27-53-146-128(138)139)151-99(179)65-204-79-44-41-76-31-21-22-32-77(76)61-79/h21-22,31-32,39-44,61,66-74,80-95,101-105,172-175H,17-20,23-30,33-38,45-60,62-65,132-133H2,1-16H3,(H2,134,176)(H2,135,177)(H2,136,178)(H2,137,182)(H,150,184)(H,151,179)(H,152,193)(H,153,197)(H,154,198)(H,155,185)(H,156,199)(H,157,203)(H,158,200)(H,159,201)(H,160,186)(H,161,187)(H,162,188)(H,163,189)(H,164,202)(H,165,194)(H,166,195)(H,167,183)(H,168,190)(H,169,191)(H,170,192)(H,171,196)(H,180,181)(H4,138,139,146)(H4,140,141,147)(H4,142,143,148)(H4,144,145,149)/t69-,70-,71-,72-,73-,74+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,101-,102-,103-,104-,105-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Department of Drug Delivery and Molecular Biopharmaceutics, Tokyo University of Pharmacy and Life Sciences, Hachioji, Tokyo 192-0392, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant myostatin (unknown origin) expressed in HEK293 cells after 4 hrs by dual-luciferase reporter gene assay				ACS Med Chem Lett 8: 751-756 (2017) Article DOI: 10.1021/acsmedchemlett.7b00168 BindingDB Entry DOI: 10.7270/Q2QC05ZJ
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50206029 (CHEMBL3892004) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COc1ccc2ccccc2c1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C131H220N40O33/c1-17-69(11)101(123(199)156-82(34-24-26-52-133)114(190)168-102(70(12)18-2)124(200)158-87(46-49-97(135)177)116(192)170-104(72(14)20-4)126(202)164-91(59-68(9)10)118(194)165-94(63-172)121(197)153-81(33-23-25-51-132)111(187)161-90(58-67(7)8)117(193)152-83(36-28-54-147-129(140)141)110(186)160-89(106(137)182)57-66(5)6)167-107(183)73(15)150-108(184)88(47-50-100(180)181)159-125(201)103(71(13)19-3)169-115(191)85(38-30-56-149-131(144)145)154-122(198)95(64-173)166-119(195)92(60-75-39-42-78(175)43-40-75)162-112(188)84(37-29-55-148-130(142)143)157-127(203)105(74(16)174)171-120(196)93(62-98(136)178)163-113(189)86(45-48-96(134)176)155-109(185)80(35-27-53-146-128(138)139)151-99(179)65-204-79-44-41-76-31-21-22-32-77(76)61-79/h21-22,31-32,39-44,61,66-74,80-95,101-105,172-175H,17-20,23-30,33-38,45-60,62-65,132-133H2,1-16H3,(H2,134,176)(H2,135,177)(H2,136,178)(H2,137,182)(H,150,184)(H,151,179)(H,152,193)(H,153,197)(H,154,198)(H,155,185)(H,156,199)(H,157,203)(H,158,200)(H,159,201)(H,160,186)(H,161,187)(H,162,188)(H,163,189)(H,164,202)(H,165,194)(H,166,195)(H,167,183)(H,168,190)(H,169,191)(H,170,192)(H,171,196)(H,180,181)(H4,138,139,146)(H4,140,141,147)(H4,142,143,148)(H4,144,145,149)/t69-,70-,71-,72-,73-,74+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,101-,102-,103-,104-,105-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant myostatin expressed in HEK293 cells after 4 hrs by SBE4 based luciferase reporter gene assay				ACS Med Chem Lett 8: 113-117 (2017) Article DOI: 10.1021/acsmedchemlett.6b00420 BindingDB Entry DOI: 10.7270/Q2MG7RHH
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50030766 (CHEMBL3342339) Show SMILES O=C(c1ccccc1)c1cccc(\C=c2/[nH]c(=O)\c(=C\c3ccccn3)[nH]c2=O)c1 Show InChI InChI=1S/C24H17N3O3/c28-22(17-8-2-1-3-9-17)18-10-6-7-16(13-18)14-20-23(29)27-21(24(30)26-20)15-19-11-4-5-12-25-19/h1-15H,(H,26,30)(H,27,29)/b20-14-,21-15-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of porcine tubulin polymerization by spectrophotometry				ACS Med Chem Lett 5: 1094-8 (2014) Article DOI: 10.1021/ml5001883 BindingDB Entry DOI: 10.7270/Q2R49SCP
					More data for this Ligand-Target Pair
Transforming growth factor beta-1 proprotein (Homo sapiens (Human))	BDBM50585028 (CHEMBL5078185) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](C1CCCCC1)C(=O)N[C@H](CCCCN)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGF beta 1 (unknown origin) expressed in HEK293 cells transfected with Smad2/3 responsive reporter plasmid incubated for 4 hrs by dual ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00705 BindingDB Entry DOI: 10.7270/Q28S4TT7
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50030765 (NPI-2358 | Plinabulin) Show SMILES CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O Show InChI InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of porcine tubulin polymerization by spectrophotometry				ACS Med Chem Lett 5: 1094-8 (2014) Article DOI: 10.1021/ml5001883 BindingDB Entry DOI: 10.7270/Q2R49SCP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50525413 (CHEMBL4448117) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C114H173N29O19/c1-9-64(6)92(140-105(155)87(55-67-44-46-73(145)47-45-67)135-98(148)77(117)56-70-59-126-78-37-21-18-34-74(70)78)109(159)131-84(43-29-53-125-114(122)123)100(150)136-89(58-72-61-128-80-39-23-20-36-76(72)80)106(156)141-93(65(7)10-2)108(158)130-82(41-25-27-51-116)102(152)143-96(69-32-16-13-17-33-69)112(162)133-85(48-49-91(118)146)103(153)139-94(66(8)11-3)110(160)137-88(57-71-60-127-79-38-22-19-35-75(71)79)104(154)138-90(62-144)107(157)129-81(40-24-26-50-115)101(151)142-95(68-30-14-12-15-31-68)111(161)132-83(42-28-52-124-113(120)121)99(149)134-86(97(119)147)54-63(4)5/h18-23,34-39,44-47,59-61,63-66,68-69,77,81-90,92-96,126-128,144-145H,9-17,24-33,40-43,48-58,62,115-117H2,1-8H3,(H2,118,146)(H2,119,147)(H,129,157)(H,130,158)(H,131,159)(H,132,161)(H,133,162)(H,134,149)(H,135,148)(H,136,150)(H,137,160)(H,138,154)(H,139,153)(H,140,155)(H,141,156)(H,142,151)(H,143,152)(H4,120,121,124)(H4,122,123,125)/t64-,65-,66-,77-,81-,82-,83-,84-,85-,86-,87-,88-,89+,90-,92-,93-,94-,95-,96-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of myostatin (unknown origin) expressed in HEK293 cells incubated for 4 hrs by dual luciferase reporter gene assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126892 BindingDB Entry DOI: 10.7270/Q2G73J8Q
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50071380 (CHEMBL3410232) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Department of Drug Delivery and Molecular Biopharmaceutics, Tokyo University of Pharmacy and Life Sciences, Hachioji, Tokyo 192-0392, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant myostatin (unknown origin) expressed in HEK293 cells after 4 hrs by dual-luciferase reporter gene assay				ACS Med Chem Lett 8: 751-756 (2017) Article DOI: 10.1021/acsmedchemlett.7b00168 BindingDB Entry DOI: 10.7270/Q2QC05ZJ
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50071379 (CHEMBL3410227) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant myostatin pre-incubated with compound for 1 hr before addition to human HepG2 cells assessed as reduction in myostati...				J Med Chem 58: 1544-9 (2015) Article DOI: 10.1021/jm501170d BindingDB Entry DOI: 10.7270/Q2DJ5HBF
					More data for this Ligand-Target Pair
Growth/differentiation factor 8 (Homo sapiens (Human))	BDBM50539386 (CHEMBL4646947) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C79H116N20O20S/c1-9-42(6)65(78(118)97-53(32-45-22-14-11-15-23-45)72(112)92-55(34-59(81)101)67(107)87-39-62(84)104)98-69(109)50(27-29-120-8)89-73(113)54(33-46-38-86-48-25-17-16-24-47(46)48)91-68(108)49(26-18-19-28-80)88-71(111)52(31-44-20-12-10-13-21-44)90-70(110)51(30-40(2)3)96-79(119)66(43(7)100)99-76(116)57(36-61(83)103)93-75(115)58(37-63(105)106)94-74(114)56(35-60(82)102)95-77(117)64(85)41(4)5/h10-17,20-25,38,40-43,49-58,64-66,86,100H,9,18-19,26-37,39,80,85H2,1-8H3,(H2,81,101)(H2,82,102)(H2,83,103)(H2,84,104)(H,87,107)(H,88,111)(H,89,113)(H,90,110)(H,91,108)(H,92,112)(H,93,115)(H,94,114)(H,95,117)(H,96,119)(H,97,118)(H,98,109)(H,99,116)(H,105,106)/t42-,43+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-,65-,66-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of myostatin (unknown origin) expressed in HEK293 cells incubated for 4 hrs by dual luciferase reporter gene assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126892 BindingDB Entry DOI: 10.7270/Q2G73J8Q
					More data for this Ligand-Target Pair
Transforming growth factor beta-1 proprotein (Homo sapiens (Human))	BDBM50525413 (CHEMBL4448117) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C114H173N29O19/c1-9-64(6)92(140-105(155)87(55-67-44-46-73(145)47-45-67)135-98(148)77(117)56-70-59-126-78-37-21-18-34-74(70)78)109(159)131-84(43-29-53-125-114(122)123)100(150)136-89(58-72-61-128-80-39-23-20-36-76(72)80)106(156)141-93(65(7)10-2)108(158)130-82(41-25-27-51-116)102(152)143-96(69-32-16-13-17-33-69)112(162)133-85(48-49-91(118)146)103(153)139-94(66(8)11-3)110(160)137-88(57-71-60-127-79-38-22-19-35-75(71)79)104(154)138-90(62-144)107(157)129-81(40-24-26-50-115)101(151)142-95(68-30-14-12-15-31-68)111(161)132-83(42-28-52-124-113(120)121)99(149)134-86(97(119)147)54-63(4)5/h18-23,34-39,44-47,59-61,63-66,68-69,77,81-90,92-96,126-128,144-145H,9-17,24-33,40-43,48-58,62,115-117H2,1-8H3,(H2,118,146)(H2,119,147)(H,129,157)(H,130,158)(H,131,159)(H,132,161)(H,133,162)(H,134,149)(H,135,148)(H,136,150)(H,137,160)(H,138,154)(H,139,153)(H,140,155)(H,141,156)(H,142,151)(H,143,152)(H4,120,121,124)(H4,122,123,125)/t64-,65-,66-,77-,81-,82-,83-,84-,85-,86-,87-,88-,89+,90-,92-,93-,94-,95-,96-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TGF beta 1 (unknown origin) expressed in HEK293 cells transfected with Smad2/3 responsive reporter plasmid incubated for 4 hrs by dual ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00705 BindingDB Entry DOI: 10.7270/Q28S4TT7
					More data for this Ligand-Target Pair

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