Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   

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
Fibroblast growth factor receptor 4   (293/306 = 96%)† (Homo sapiens (Human))	BDBM100379 (US10189794, Compound I-211 | US10618902, Compound ...) Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NC3COCC3NC(=O)C=C)nc2n(C)c1=O |(8.91,2.15,;7.58,1.38,;6.25,2.15,;6.25,3.69,;4.91,4.46,;4.91,6,;6.25,6.77,;3.58,3.69,;2.25,4.46,;3.58,2.15,;4.91,1.38,;4.91,-.16,;2.25,1.38,;.91,2.15,;-.42,1.38,;-1.76,2.15,;-3.09,1.38,;-3.09,-.16,;-4.42,-.93,;-4.42,-2.47,;-3.18,-3.38,;-3.65,-4.84,;-5.19,-4.84,;-5.67,-3.38,;-7.13,-2.9,;-8.28,-3.93,;-7.96,-5.44,;-9.74,-3.46,;-10.89,-4.49,;-1.76,-.93,;-.42,-.16,;.91,-.93,;.91,-2.47,;2.25,-.16,;3.58,-.93,)| Show InChI InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	n/a
Celgene CAR LLC; Sanofi US Patent					Assay Description Omnia Assay Protocol for Potency Assessment Against FGFR 4 Enzyme. a) [FGFR4-WT]=10 nM, [ATP]=300 uM, [Y10-Sox]=10 uM (ATP KMapp 300 uM): A 10x stock...				US Patent US9695132 (2017) BindingDB Entry DOI: 10.7270/Q2TX3CJ7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fibroblast growth factor receptor 4   (293/306 = 96%)† (Homo sapiens (Human))	BDBM100954 (US10189794, Compound I-241 | US10618902, Compound ...) Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(9.29,-1.34,;9.29,.2,;7.95,.97,;7.95,2.51,;6.62,3.28,;6.62,4.82,;5.29,5.59,;5.29,2.51,;3.95,3.28,;5.29,.97,;6.62,.2,;6.62,-1.34,;3.95,.2,;2.62,.97,;1.28,.2,;-.05,.97,;-1.38,.2,;-1.38,-1.34,;-2.72,-2.11,;-4.05,-1.34,;-4.05,.2,;-5.51,.67,;-6.42,-.57,;-5.51,-1.82,;-5.91,-3.3,;-7.4,-3.7,;-8.49,-2.61,;-7.8,-5.19,;-9.29,-5.59,;-.05,-2.11,;1.28,-1.34,;2.62,-2.11,;2.62,-3.65,;3.95,-1.34,;5.29,-2.11,)| Show InChI InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC; Sanofi US Patent					Assay Description A 10× stock solution of FGFR4-WT (PR4380C), (from Invitrogen, Carlsbad, Calif.) corresponding to method a in Table 7, was prepared as described below...				US Patent US10189794 (2019) BindingDB Entry DOI: 10.7270/Q2MP55BJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fibroblast growth factor receptor 4   (293/306 = 96%)† (Homo sapiens (Human))	BDBM100379 (US10189794, Compound I-211 | US10618902, Compound ...) Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NC3COCC3NC(=O)C=C)nc2n(C)c1=O |(8.91,2.15,;7.58,1.38,;6.25,2.15,;6.25,3.69,;4.91,4.46,;4.91,6,;6.25,6.77,;3.58,3.69,;2.25,4.46,;3.58,2.15,;4.91,1.38,;4.91,-.16,;2.25,1.38,;.91,2.15,;-.42,1.38,;-1.76,2.15,;-3.09,1.38,;-3.09,-.16,;-4.42,-.93,;-4.42,-2.47,;-3.18,-3.38,;-3.65,-4.84,;-5.19,-4.84,;-5.67,-3.38,;-7.13,-2.9,;-8.28,-3.93,;-7.96,-5.44,;-9.74,-3.46,;-10.89,-4.49,;-1.76,-.93,;-.42,-.16,;.91,-.93,;.91,-2.47,;2.25,-.16,;3.58,-.93,)| Show InChI InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC; Sanofi US Patent					Assay Description A 10× stock solution of FGFR4-WT (PR4380C), (from Invitrogen, Carlsbad, Calif.) corresponding to method a in Table 7, was prepared as described below...				US Patent US10189794 (2019) BindingDB Entry DOI: 10.7270/Q2MP55BJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fibroblast growth factor receptor 4   (293/306 = 96%)† (Homo sapiens (Human))	BDBM100954 (US10189794, Compound I-241 | US10618902, Compound ...) Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(9.29,-1.34,;9.29,.2,;7.95,.97,;7.95,2.51,;6.62,3.28,;6.62,4.82,;5.29,5.59,;5.29,2.51,;3.95,3.28,;5.29,.97,;6.62,.2,;6.62,-1.34,;3.95,.2,;2.62,.97,;1.28,.2,;-.05,.97,;-1.38,.2,;-1.38,-1.34,;-2.72,-2.11,;-4.05,-1.34,;-4.05,.2,;-5.51,.67,;-6.42,-.57,;-5.51,-1.82,;-5.91,-3.3,;-7.4,-3.7,;-8.49,-2.61,;-7.8,-5.19,;-9.29,-5.59,;-.05,-2.11,;1.28,-1.34,;2.62,-2.11,;2.62,-3.65,;3.95,-1.34,;5.29,-2.11,)| Show InChI InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	n/a
Celgene CAR LLC; Sanofi US Patent					Assay Description Omnia Assay Protocol for Potency Assessment Against FGFR 4 Enzyme. a) [FGFR4-WT]=10 nM, [ATP]=300 uM, [Y10-Sox]=10 uM (ATP KMapp 300 uM): A 10x stock...				US Patent US9695132 (2017) BindingDB Entry DOI: 10.7270/Q2TX3CJ7
					More data for this Ligand-Target Pair				3D Structure (crystal)

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• Reorder this table by -TΔS°
• Change energy units to:  kcal/mole

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