Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Protein Wnt-3a' and Ligand = 'BDBM300545'   

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
Protein Wnt-3a (Homo sapiens (Human))	BDBM300545 (N-{6-[4-(dimethylamino)phenyl]pyridin-3-yl}-3-{[(2...) Show SMILES C[C@@H](N1CCOCC1)C(=O)Nc1cc(ccc1OC(F)(F)F)C(=O)Nc1ccc(nc1)-c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C28H30F3N5O4/c1-18(36-12-14-39-15-13-36)26(37)34-24-16-20(6-11-25(24)40-28(29,30)31)27(38)33-21-7-10-23(32-17-21)19-4-8-22(9-5-19)35(2)3/h4-11,16-18H,12-15H2,1-3H3,(H,33,38)(H,34,37)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...				US Patent US10130633 (2018) BindingDB Entry DOI: 10.7270/Q2FN188G
					More data for this Ligand-Target Pair
Protein Wnt-3a (Homo sapiens (Human))	BDBM300545 (N-{6-[4-(dimethylamino)phenyl]pyridin-3-yl}-3-{[(2...) Show SMILES C[C@@H](N1CCOCC1)C(=O)Nc1cc(ccc1OC(F)(F)F)C(=O)Nc1ccc(nc1)-c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C28H30F3N5O4/c1-18(36-12-14-39-15-13-36)26(37)34-24-16-20(6-11-25(24)40-28(29,30)31)27(38)33-21-7-10-23(32-17-21)19-4-8-22(9-5-19)35(2)3/h4-11,16-18H,12-15H2,1-3H3,(H,33,38)(H,34,37)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description In preparation of the assay, the two cell lines were plated 24 hours before beginning the test at 10000 cells per well in a 384 micro titre plate (MT...				US Patent US10130633 (2018) BindingDB Entry DOI: 10.7270/Q2FN188G
					More data for this Ligand-Target Pair
Protein Wnt-3a (Homo sapiens (Human))	BDBM300545 (N-{6-[4-(dimethylamino)phenyl]pyridin-3-yl}-3-{[(2...) Show SMILES C[C@@H](N1CCOCC1)C(=O)Nc1cc(ccc1OC(F)(F)F)C(=O)Nc1ccc(nc1)-c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C28H30F3N5O4/c1-18(36-12-14-39-15-13-36)26(37)34-24-16-20(6-11-25(24)40-28(29,30)31)27(38)33-21-7-10-23(32-17-21)19-4-8-22(9-5-19)35(2)3/h4-11,16-18H,12-15H2,1-3H3,(H,33,38)(H,34,37)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...				US Patent US10130633 (2018) BindingDB Entry DOI: 10.7270/Q2FN188G
					More data for this Ligand-Target Pair
Protein Wnt-3a (Homo sapiens (Human))	BDBM300545 (N-{6-[4-(dimethylamino)phenyl]pyridin-3-yl}-3-{[(2...) Show SMILES C[C@@H](N1CCOCC1)C(=O)Nc1cc(ccc1OC(F)(F)F)C(=O)Nc1ccc(nc1)-c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C28H30F3N5O4/c1-18(36-12-14-39-15-13-36)26(37)34-24-16-20(6-11-25(24)40-28(29,30)31)27(38)33-21-7-10-23(32-17-21)19-4-8-22(9-5-19)35(2)3/h4-11,16-18H,12-15H2,1-3H3,(H,33,38)(H,34,37)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description HEK293 cells were cotransfected with the FOP control vector and pcDNA3. The FOP vector is identical to the TOP construct, but it contains instead of ...				US Patent US10130633 (2018) BindingDB Entry DOI: 10.7270/Q2FN188G
					More data for this Ligand-Target Pair