Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 8265   

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 colony-stimulating factor 1 receptor (Mus musculus (Mouse))	BDBM238225 (US9403804, 2) Show SMILES CC1(C)CCC(=CC1)c1cc(ccc1NC(=O)c1ncc([nH]1)C#N)[C@@]1(O)CC[C@@H](CC1)C(O)=O |r,wU:24.27,28.34,c:5,(-1.59,6.83,;-1.59,5.29,;-.82,6.62,;-.26,4.52,;-.26,2.98,;-1.59,2.21,;-2.93,2.98,;-2.93,4.52,;-1.59,.67,;-2.93,-.1,;-2.93,-1.64,;-1.59,-2.41,;-.26,-1.64,;-.26,-.1,;1.08,.67,;2.41,-.1,;2.41,-1.64,;3.74,.67,;5.21,.19,;6.11,1.44,;5.27,2.75,;3.74,2.21,;5.77,4.21,;6.27,5.67,;-4.26,-2.41,;-5.03,-1.08,;-5.59,-3.18,;-5.59,-4.72,;-4.26,-5.55,;-2.93,-4.72,;-2.93,-3.18,;-4.26,-7.09,;-5.59,-7.86,;-2.93,-7.86,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.650	n/a	n/a	n/a	n/a	7.5	25
Janssen Pharmaceutica NV US Patent					Assay Description An autophosphorylation, fluorescence polarization competition immunoassay was used to determine the potency for c-fms inhibition exhibited by selecte...				US Patent US9403804 (2016) BindingDB Entry DOI: 10.7270/Q23T9G3C
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Mus musculus (Mouse))	BDBM238233 (US9403804, 44) Show SMILES CC1(C)CCC(=CC1)c1cc(ccc1NC(=O)c1nc(c[nH]1)C#N)[C@@]1(O)CC[C@@H](CC1)N1CCOCC1 |r,wU:24.27,28.34,wD:24.26,c:5,(-1.39,-2.42,;-2.16,-3.76,;-2.93,-2.42,;-.82,-4.53,;-.82,-6.07,;-2.16,-6.84,;-3.49,-6.07,;-3.49,-4.53,;-2.16,-8.38,;-3.49,-9.15,;-3.49,-10.69,;-2.16,-11.46,;-.82,-10.69,;-.82,-9.15,;.51,-8.38,;1.85,-9.15,;1.85,-10.69,;3.18,-8.38,;4.64,-8.85,;5.59,-7.61,;4.64,-6.36,;3.18,-6.84,;7.13,-7.61,;8.67,-7.61,;-4.82,-11.46,;-5.22,-9.97,;-6.31,-11.86,;-6.71,-13.34,;-5.62,-14.43,;-4.13,-14.03,;-3.73,-12.55,;-6.02,-15.92,;-7.51,-16.32,;-7.9,-17.81,;-6.82,-18.9,;-5.33,-18.5,;-4.93,-17.01,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.720	n/a	n/a	n/a	n/a	7.5	25
Janssen Pharmaceutica NV US Patent					Assay Description An autophosphorylation, fluorescence polarization competition immunoassay was used to determine the potency for c-fms inhibition exhibited by selecte...				US Patent US9403804 (2016) BindingDB Entry DOI: 10.7270/Q23T9G3C
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Mus musculus (Mouse))	BDBM238230 (US9403804, 28) Show SMILES CN1CCN(CC1)C1CCC(CC1)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCC(C)(C)CC1 |t:33,(-.58,-8.85,;-.58,-7.31,;-1.91,-6.54,;-1.91,-5,;-.58,-4.23,;.76,-5,;.76,-6.54,;-.58,-2.69,;-1.91,-1.93,;-1.91,-.38,;-.58,.38,;.76,-.38,;.76,-1.93,;-.58,1.93,;-1.91,2.69,;-1.91,4.23,;-.58,5,;-.58,6.54,;-1.91,7.31,;-1.91,8.85,;-3.24,6.54,;-3.24,5,;-4.72,4.49,;-5.61,5.78,;-4.71,7.02,;-5.2,3.03,;-5.67,1.56,;.76,4.23,;.76,2.69,;2.09,5,;2.09,6.54,;3.43,7.31,;4.76,6.54,;5.16,8.03,;6.25,6.15,;4.76,5,;3.43,4.23,)| Show InChI InChI=1S/C30H40N6O/c1-30(2)12-10-22(11-13-30)26-18-23(6-9-27(26)34-29(37)28-32-20-24(19-31)33-28)21-4-7-25(8-5-21)36-16-14-35(3)15-17-36/h6,9-10,18,20-21,25H,4-5,7-8,11-17H2,1-3H3,(H,32,33)(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	7.5	25
Janssen Pharmaceutica NV US Patent					Assay Description An autophosphorylation, fluorescence polarization competition immunoassay was used to determine the potency for c-fms inhibition exhibited by selecte...				US Patent US9403804 (2016) BindingDB Entry DOI: 10.7270/Q23T9G3C
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Mus musculus (Mouse))	BDBM238229 (US9403804, 27) Show SMILES CC1(C)CCC(=CC1)c1cc(ccc1NC(=O)c1nc(c[nH]1)C#N)C1CCC(CC1)N1CCOCC1 |c:5,(5.16,7.26,;4.76,5.78,;6.25,5.38,;4.76,4.23,;3.43,3.47,;2.09,4.23,;2.09,5.78,;3.43,6.54,;.76,3.47,;.76,1.93,;-.58,1.15,;-1.91,1.93,;-1.91,3.47,;-.58,4.23,;-.58,5.78,;-1.91,6.54,;-1.91,8.08,;-3.24,5.78,;-3.24,4.23,;-4.72,3.72,;-5.61,5,;-4.71,6.25,;-5.2,2.26,;-5.67,.79,;-.58,-.38,;-1.91,-1.15,;-1.91,-2.69,;-.58,-3.47,;.76,-2.69,;.76,-1.15,;-.58,-5,;-1.91,-5.78,;-1.91,-7.31,;-.58,-8.08,;.76,-7.31,;.76,-5.78,)| Show InChI InChI=1S/C29H37N5O2/c1-29(2)11-9-21(10-12-29)25-17-22(20-3-6-24(7-4-20)34-13-15-36-16-14-34)5-8-26(25)33-28(35)27-31-19-23(18-30)32-27/h5,8-9,17,19-20,24H,3-4,6-7,10-16H2,1-2H3,(H,31,32)(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.5	25
Janssen Pharmaceutica NV US Patent					Assay Description An autophosphorylation, fluorescence polarization competition immunoassay was used to determine the potency for c-fms inhibition exhibited by selecte...				US Patent US9403804 (2016) BindingDB Entry DOI: 10.7270/Q23T9G3C
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Mus musculus (Mouse))	BDBM238226 (US9403804, 3) Show SMILES CC1(C)CCC(=CC1)c1cc(ccc1NC(=O)c1nc(c[nH]1)C#N)C1(O)CCCC1 |c:5| Show InChI InChI=1S/C24H28N4O2/c1-23(2)11-7-16(8-12-23)19-13-17(24(30)9-3-4-10-24)5-6-20(19)28-22(29)21-26-15-18(14-25)27-21/h5-7,13,15,30H,3-4,8-12H2,1-2H3,(H,26,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.5	25
Janssen Pharmaceutica NV US Patent					Assay Description An autophosphorylation, fluorescence polarization competition immunoassay was used to determine the potency for c-fms inhibition exhibited by selecte...				US Patent US9403804 (2016) BindingDB Entry DOI: 10.7270/Q23T9G3C
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Mus musculus (Mouse))	BDBM238231 (US9403804, 43) Show SMILES COCCNC1(CCCCC1)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCC(C)(C)CC1 |t:30| Show InChI InChI=1S/C28H37N5O2/c1-27(2)13-9-20(10-14-27)23-17-21(28(31-15-16-35-3)11-5-4-6-12-28)7-8-24(23)33-26(34)25-30-19-22(18-29)32-25/h7-9,17,19,31H,4-6,10-16H2,1-3H3,(H,30,32)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	7.5	25
Janssen Pharmaceutica NV US Patent					Assay Description An autophosphorylation, fluorescence polarization competition immunoassay was used to determine the potency for c-fms inhibition exhibited by selecte...				US Patent US9403804 (2016) BindingDB Entry DOI: 10.7270/Q23T9G3C
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Mus musculus (Mouse))	BDBM238232 (US9403804, 45) Show SMILES CC1(C)CCC(=CC1)c1cc(ccc1NC(=O)c1nc(c[nH]1)C#N)[C@]1(O)CC[C@@H](CC1)N1CCOCC1 |r,wU:24.27,wD:24.26,28.34,c:5,(-1.39,-2.42,;-2.16,-3.76,;-2.93,-2.42,;-.82,-4.53,;-.82,-6.07,;-2.16,-6.84,;-3.49,-6.07,;-3.49,-4.53,;-2.16,-8.38,;-3.49,-9.15,;-3.49,-10.69,;-2.16,-11.46,;-.82,-10.69,;-.82,-9.15,;.51,-8.38,;1.85,-9.15,;1.85,-10.69,;3.18,-8.38,;4.64,-8.85,;5.59,-7.61,;4.64,-6.36,;3.18,-6.84,;7.13,-7.61,;8.67,-7.61,;-4.82,-11.46,;-5.22,-9.97,;-3.73,-12.55,;-4.13,-14.03,;-5.62,-14.43,;-6.71,-13.34,;-6.31,-11.86,;-6.02,-15.92,;-7.51,-16.32,;-7.9,-17.81,;-6.82,-18.9,;-5.33,-18.5,;-4.93,-17.01,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	7.5	25
Janssen Pharmaceutica NV US Patent					Assay Description An autophosphorylation, fluorescence polarization competition immunoassay was used to determine the potency for c-fms inhibition exhibited by selecte...				US Patent US9403804 (2016) BindingDB Entry DOI: 10.7270/Q23T9G3C
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Mus musculus (Mouse))	BDBM238224 (US9403804, 1) Show SMILES CC1(C)CCC(=CC1)c1cc(ccc1NC(=O)c1nc(c[nH]1)C#N)C1(O)CCCCC1 |c:5| Show InChI InChI=1S/C25H30N4O2/c1-24(2)12-8-17(9-13-24)20-14-18(25(31)10-4-3-5-11-25)6-7-21(20)29-23(30)22-27-16-19(15-26)28-22/h6-8,14,16,31H,3-5,9-13H2,1-2H3,(H,27,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	7.5	25
Janssen Pharmaceutica NV US Patent					Assay Description An autophosphorylation, fluorescence polarization competition immunoassay was used to determine the potency for c-fms inhibition exhibited by selecte...				US Patent US9403804 (2016) BindingDB Entry DOI: 10.7270/Q23T9G3C
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Mus musculus (Mouse))	BDBM238227 (US9403804, 4) Show SMILES CC1(C)CCC(=CC1)c1cc(ccc1NC(=O)c1nc(c[nH]1)C#N)C1(CC1)C#N |c:5| Show InChI InChI=1S/C23H23N5O/c1-22(2)7-5-15(6-8-22)18-11-16(23(14-25)9-10-23)3-4-19(18)28-21(29)20-26-13-17(12-24)27-20/h3-5,11,13H,6-10H2,1-2H3,(H,26,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.5	n/a	n/a	n/a	n/a	7.5	25
Janssen Pharmaceutica NV US Patent					Assay Description An autophosphorylation, fluorescence polarization competition immunoassay was used to determine the potency for c-fms inhibition exhibited by selecte...				US Patent US9403804 (2016) BindingDB Entry DOI: 10.7270/Q23T9G3C
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Mus musculus (Mouse))	BDBM238228 (US9403804, 14) Show SMILES CC1(C)CCC(=CC1)c1cc(ccc1NC(=O)c1nc(c[nH]1)C#N)C1(CCCCC1)C#N |c:5| Show InChI InChI=1S/C26H29N5O/c1-25(2)12-8-18(9-13-25)21-14-19(26(17-28)10-4-3-5-11-26)6-7-22(21)31-24(32)23-29-16-20(15-27)30-23/h6-8,14,16H,3-5,9-13H2,1-2H3,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	25
Janssen Pharmaceutica NV US Patent					Assay Description An autophosphorylation, fluorescence polarization competition immunoassay was used to determine the potency for c-fms inhibition exhibited by selecte...				US Patent US9403804 (2016) BindingDB Entry DOI: 10.7270/Q23T9G3C
					More data for this Ligand-Target Pair