Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 3559   

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'-AMP-activated protein kinase subunit beta-1/5'-AMP-activated protein kinase subunit gamma-1/Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.29	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.14	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50262685 (6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25.1	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM36356 (DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26.7	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40.7	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM36355 (4-(2-(4-(3-(quinolin-4-yl)pyrazolo[1,5-a]pyrimidin...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C27H25N5O2/c1-2-4-26-24(3-1)23(9-10-28-26)25-18-30-32-19-21(17-29-27(25)32)20-5-7-22(8-6-20)34-16-13-31-11-14-33-15-12-31/h1-10,17-19H,11-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42.8	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM36354 (4-(6-(4-isopropoxyphenyl)pyrazolo[1,5-a]pyrimidin-...) Show SMILES CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-13-26-24-22(14-27-28(24)15-18)20-11-12-25-23-6-4-3-5-21(20)23/h3-16H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50262685 (6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5410 (4-(2-(4-(3-phenylpyrazolo[1,5- a]pyrimidin-6-yl)ph...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1 Show InChI InChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)23-17-26-28-18-21(16-25-24(23)28)19-6-8-22(9-7-19)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase subunit beta-1/5'-AMP-activated protein kinase subunit gamma-1/Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50262685 (6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair				3D Structure (crystal)
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	565	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM36356 (DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	998	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase subunit beta-1/5'-AMP-activated protein kinase subunit gamma-1/Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM36355 (4-(2-(4-(3-(quinolin-4-yl)pyrazolo[1,5-a]pyrimidin...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C27H25N5O2/c1-2-4-26-24(3-1)23(9-10-28-26)25-18-30-32-19-21(17-29-27(25)32)20-5-7-22(8-6-20)34-16-13-31-11-14-33-15-12-31/h1-10,17-19H,11-16H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase subunit beta-1/5'-AMP-activated protein kinase subunit gamma-1/Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM36356 (DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM36356 (DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM36355 (4-(2-(4-(3-(quinolin-4-yl)pyrazolo[1,5-a]pyrimidin...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C27H25N5O2/c1-2-4-26-24(3-1)23(9-10-28-26)25-18-30-32-19-21(17-29-27(25)32)20-5-7-22(8-6-20)34-16-13-31-11-14-33-15-12-31/h1-10,17-19H,11-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase subunit beta-1/5'-AMP-activated protein kinase subunit gamma-1/Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM36355 (4-(2-(4-(3-(quinolin-4-yl)pyrazolo[1,5-a]pyrimidin...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C27H25N5O2/c1-2-4-26-24(3-1)23(9-10-28-26)25-18-30-32-19-21(17-29-27(25)32)20-5-7-22(8-6-20)34-16-13-31-11-14-33-15-12-31/h1-10,17-19H,11-16H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM5410 (4-(2-(4-(3-phenylpyrazolo[1,5- a]pyrimidin-6-yl)ph...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1 Show InChI InChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)23-17-26-28-18-21(16-25-24(23)28)19-6-8-22(9-7-19)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase subunit beta-1/5'-AMP-activated protein kinase subunit gamma-1/Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM5410 (4-(2-(4-(3-phenylpyrazolo[1,5- a]pyrimidin-6-yl)ph...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1 Show InChI InChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)23-17-26-28-18-21(16-25-24(23)28)19-6-8-22(9-7-19)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50262685 (6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM36354 (4-(6-(4-isopropoxyphenyl)pyrazolo[1,5-a]pyrimidin-...) Show SMILES CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-13-26-24-22(14-27-28(24)15-18)20-11-12-25-23-6-4-3-5-21(20)23/h3-16H,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For nonspecific toxicity, the EC100 represents the concentration when 100% of the treated embryos exhibit either early lethality within hours of comp...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM36355 (4-(2-(4-(3-(quinolin-4-yl)pyrazolo[1,5-a]pyrimidin...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C27H25N5O2/c1-2-4-26-24(3-1)23(9-10-28-26)25-18-30-32-19-21(17-29-27(25)32)20-5-7-22(8-6-20)34-16-13-31-11-14-33-15-12-31/h1-10,17-19H,11-16H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For nonspecific toxicity, the EC100 represents the concentration when 100% of the treated embryos exhibit either early lethality within hours of comp...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM36356 (DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For nonspecific toxicity, the EC100 represents the concentration when 100% of the treated embryos exhibit either early lethality within hours of comp...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM5410 (4-(2-(4-(3-phenylpyrazolo[1,5- a]pyrimidin-6-yl)ph...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1 Show InChI InChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)23-17-26-28-18-21(16-25-24(23)28)19-6-8-22(9-7-19)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For nonspecific toxicity, the EC100 represents the concentration when 100% of the treated embryos exhibit either early lethality within hours of comp...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM4810 ((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...) Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1 Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For nonspecific toxicity, the EC100 represents the concentration when 100% of the treated embryos exhibit either early lethality within hours of comp...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM5294 (3,6-diarylpyrazolo[1,5-a]pyrimidine 1 | 6-(4-metho...) Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1 Show InChI InChI=1S/C19H15N3O/c1-23-17-9-7-14(8-10-17)16-11-20-19-18(12-21-22(19)13-16)15-5-3-2-4-6-15/h2-13H,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For nonspecific toxicity, the EC100 represents the concentration when 100% of the treated embryos exhibit either early lethality within hours of comp...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM36353 (dorsomorphin (91E)) Show SMILES CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C20H18N4O/c1-14(2)25-18-5-3-15(4-6-18)17-11-22-20-19(12-23-24(20)13-17)16-7-9-21-10-8-16/h3-14H,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For nonspecific toxicity, the EC100 represents the concentration when 100% of the treated embryos exhibit either early lethality within hours of comp...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM5416 (4-(2-{4-[3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C23H23N5O2/c1-3-21(30-14-11-27-9-12-29-13-10-27)4-2-18(1)20-15-25-23-22(16-26-28(23)17-20)19-5-7-24-8-6-19/h1-8,15-17H,9-14H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For nonspecific toxicity, the EC100 represents the concentration when 100% of the treated embryos exhibit either early lethality within hours of comp...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM36352 (dorsomorphin (6LE)) Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C22H23N5O/c1-26(2)12-3-13-28-20-6-4-17(5-7-20)19-14-24-22-21(15-25-27(22)16-19)18-8-10-23-11-9-18/h4-11,14-16H,3,12-13H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For nonspecific toxicity, the EC100 represents the concentration when 100% of the treated embryos exhibit either early lethality within hours of comp...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For nonspecific toxicity, the EC100 represents the concentration when 100% of the treated embryos exhibit either early lethality within hours of comp...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM50262685 (6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For nonspecific toxicity, the EC100 represents the concentration when 100% of the treated embryos exhibit either early lethality within hours of comp...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM4810 ((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...) Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1 Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For ISV disruption, the EC50 represents the concentration when the formation of about 50% of the ISVs is inhibited.				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM5410 (4-(2-(4-(3-phenylpyrazolo[1,5- a]pyrimidin-6-yl)ph...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1 Show InChI InChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)23-17-26-28-18-21(16-25-24(23)28)19-6-8-22(9-7-19)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For ISV disruption, the EC50 represents the concentration when the formation of about 50% of the ISVs is inhibited.				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM36356 (DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For ISV disruption, the EC50 represents the concentration when the formation of about 50% of the ISVs is inhibited.				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM36355 (4-(2-(4-(3-(quinolin-4-yl)pyrazolo[1,5-a]pyrimidin...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C27H25N5O2/c1-2-4-26-24(3-1)23(9-10-28-26)25-18-30-32-19-21(17-29-27(25)32)20-5-7-22(8-6-20)34-16-13-31-11-14-33-15-12-31/h1-10,17-19H,11-16H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For ISV disruption, the EC50 represents the concentration when the formation of about 50% of the ISVs is inhibited.				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM36354 (4-(6-(4-isopropoxyphenyl)pyrazolo[1,5-a]pyrimidin-...) Show SMILES CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-13-26-24-22(14-27-28(24)15-18)20-11-12-25-23-6-4-3-5-21(20)23/h3-16H,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For ISV disruption, the EC50 represents the concentration when the formation of about 50% of the ISVs is inhibited.				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM5294 (3,6-diarylpyrazolo[1,5-a]pyrimidine 1 | 6-(4-metho...) Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1 Show InChI InChI=1S/C19H15N3O/c1-23-17-9-7-14(8-10-17)16-11-20-19-18(12-21-22(19)13-16)15-5-3-2-4-6-15/h2-13H,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For ISV disruption, the EC50 represents the concentration when the formation of about 50% of the ISVs is inhibited.				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM36353 (dorsomorphin (91E)) Show SMILES CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C20H18N4O/c1-14(2)25-18-5-3-15(4-6-18)17-11-22-20-19(12-23-24(20)13-17)16-7-9-21-10-8-16/h3-14H,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For ISV disruption, the EC50 represents the concentration when the formation of about 50% of the ISVs is inhibited.				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM5416 (4-(2-{4-[3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C23H23N5O2/c1-3-21(30-14-11-27-9-12-29-13-10-27)4-2-18(1)20-15-25-23-22(16-26-28(23)17-20)19-5-7-24-8-6-19/h1-8,15-17H,9-14H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For ISV disruption, the EC50 represents the concentration when the formation of about 50% of the ISVs is inhibited.				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM36352 (dorsomorphin (6LE)) Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C22H23N5O/c1-26(2)12-3-13-28-20-6-4-17(5-7-20)19-14-24-22-21(15-25-27(22)16-19)18-8-10-23-11-9-18/h4-11,14-16H,3,12-13H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For ISV disruption, the EC50 represents the concentration when the formation of about 50% of the ISVs is inhibited.				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For ISV disruption, the EC50 represents the concentration when the formation of about 50% of the ISVs is inhibited.				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM50262685 (6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description For ISV disruption, the EC50 represents the concentration when the formation of about 50% of the ISVs is inhibited.				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM36356 (DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description The effects on zebrafish embryos with respect to the dorsoventral (DV) axis. For dorsalization, the EC100 (effective concentration 100%) represents t...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM36355 (4-(2-(4-(3-(quinolin-4-yl)pyrazolo[1,5-a]pyrimidin...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C27H25N5O2/c1-2-4-26-24(3-1)23(9-10-28-26)25-18-30-32-19-21(17-29-27(25)32)20-5-7-22(8-6-20)34-16-13-31-11-14-33-15-12-31/h1-10,17-19H,11-16H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description The effects on zebrafish embryos with respect to the dorsoventral (DV) axis. For dorsalization, the EC100 (effective concentration 100%) represents t...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair
Receptor protein serine/threonine kinase (Danio rerio (Zebrafish))	BDBM36354 (4-(6-(4-isopropoxyphenyl)pyrazolo[1,5-a]pyrimidin-...) Show SMILES CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-13-26-24-22(14-27-28(24)15-18)20-11-12-25-23-6-4-3-5-21(20)23/h3-16H,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description The effects on zebrafish embryos with respect to the dorsoventral (DV) axis. For dorsalization, the EC100 (effective concentration 100%) represents t...				ACS Chem Biol 5: 245-53 (2010) Article DOI: 10.1021/cb9002865 BindingDB Entry DOI: 10.7270/Q2JW8C78
					More data for this Ligand-Target Pair

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