Compile Data Set for Download or QSAR

Found 149 hits Enz. Inhib. hit(s) with all data for entry = 6974   

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
Smoothened homolog (Homo sapiens (Human))	BDBM162887 (US9056865, A-14) Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O Show InChI InChI=1S/C18H23ClN4O2S/c1-12-8-13(2)18(21-10-12)15-9-17(20-11-16(15)19)23-6-4-14(5-7-23)22-26(3,24)25/h8-11,14,22H,4-7H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162989 (US9056865, A-116) Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O Show InChI InChI=1S/C20H25ClN4O3S/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28/h10-13H,4-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163024 (US9056865, A-151) Show SMILES Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O Show InChI InChI=1S/C19H22ClFN4O3S/c1-13-9-14(21)11-23-19(13)15-10-17(22-12-16(15)20)24-4-6-25(7-5-24)18(26)3-8-29(2,27)28/h9-12H,3-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.11	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162966 (US9056865, A-93) Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O Show InChI InChI=1S/C19H23ClN4O3S/c1-14-4-3-6-21-19(14)15-12-17(22-13-16(15)20)23-7-9-24(10-8-23)18(25)5-11-28(2,26)27/h3-4,6,12-13H,5,7-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.84	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163026 (US9056865, A-153) Show SMILES Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(=O)(=O)CC(C)(C)O Show InChI InChI=1S/C20H26ClFN4O3S/c1-13-8-14(22)10-24-19(13)16-9-18(23-11-17(16)21)26-6-4-15(5-7-26)25-30(28,29)12-20(2,3)27/h8-11,15,25,27H,4-7,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.6	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162991 (US9056865, A-118) Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CS(N)(=O)=O)CC1 Show InChI InChI=1S/C18H23ClN4O2S/c1-12-7-13(2)18(22-9-12)15-8-17(21-10-16(15)19)23-5-3-14(4-6-23)11-26(20,24)25/h7-10,14H,3-6,11H2,1-2H3,(H2,20,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.1	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163025 (US9056865, A-152) Show SMILES Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCN(CC1)S(=O)(=O)CC(C)(C)O Show InChI InChI=1S/C19H24ClFN4O3S/c1-13-8-14(21)10-23-18(13)15-9-17(22-11-16(15)20)24-4-6-25(7-5-24)29(27,28)12-19(2,3)26/h8-11,26H,4-7,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.4	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163000 (US9056865, A-127) Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CC1)NS(=O)(=O)C1CC1 Show InChI InChI=1S/C20H25ClN4O2S/c1-13-9-14(2)20(23-11-13)17-10-19(22-12-18(17)21)25-7-5-15(6-8-25)24-28(26,27)16-3-4-16/h9-12,15-16,24H,3-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162994 (US9056865, A-121) Show SMILES CCS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C Show InChI InChI=1S/C19H25ClN4O2S/c1-4-27(25,26)23-15-5-7-24(8-6-15)18-10-16(17(20)12-21-18)19-14(3)9-13(2)11-22-19/h9-12,15,23H,4-8H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.6	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163014 (US9056865, A-141) Show SMILES Cc1cnc(c(C)c1)-c1ccnc(c1)N1CCN(CC1)C(=O)CCS(C)(=O)=O Show InChI InChI=1S/C20H26N4O3S/c1-15-12-16(2)20(22-14-15)17-4-6-21-18(13-17)23-7-9-24(10-8-23)19(25)5-11-28(3,26)27/h4,6,12-14H,5,7-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.6	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163029 (US9056865, A-156) Show SMILES C[C@H]1CN(CC(=O)N2CCN(CC2)c2cc(ccn2)-c2ncc(C)cc2C)C[C@@H](C)O1 |r| Show InChI InChI=1S/C24H33N5O2/c1-17-11-18(2)24(26-13-17)21-5-6-25-22(12-21)28-7-9-29(10-8-28)23(30)16-27-14-19(3)31-20(4)15-27/h5-6,11-13,19-20H,7-10,14-16H2,1-4H3/t19-,20+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.1	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163016 (US9056865, A-143) Show SMILES Cc1cnc(c(C)c1)-c1ccnc(c1)N1CCC(CC1)NS(C)(=O)=O Show InChI InChI=1S/C18H24N4O2S/c1-13-10-14(2)18(20-12-13)15-4-7-19-17(11-15)22-8-5-16(6-9-22)21-25(3,23)24/h4,7,10-12,16,21H,5-6,8-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.2	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162971 (US9056865, A-98) Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CS(C)(=O)=O)CC1 Show InChI InChI=1S/C19H24ClN3O2S/c1-13-8-14(2)19(22-10-13)16-9-18(21-11-17(16)20)23-6-4-15(5-7-23)12-26(3,24)25/h8-11,15H,4-7,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.4	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162995 (US9056865, A-122) Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CC1)NC(=O)CCS(C)(=O)=O Show InChI InChI=1S/C21H27ClN4O3S/c1-14-10-15(2)21(24-12-14)17-11-19(23-13-18(17)22)26-7-4-16(5-8-26)25-20(27)6-9-30(3,28)29/h10-13,16H,4-9H2,1-3H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14.7	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163030 (US9056865, A-157) Show SMILES Cc1cnc(c(C)c1)-c1ccnc(c1)N1CCN(CC1)C(=O)CN1CCOCC1 Show InChI InChI=1S/C22H29N5O2/c1-17-13-18(2)22(24-15-17)19-3-4-23-20(14-19)26-5-7-27(8-6-26)21(28)16-25-9-11-29-12-10-25/h3-4,13-15H,5-12,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14.8	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162999 (US9056865, A-126) Show SMILES OCCS(=O)(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1 Show InChI InChI=1S/C17H21ClN4O3S/c18-14-4-5-16(20-17(14)15-3-1-2-8-19-15)22-9-6-13(7-10-22)21-26(24,25)12-11-23/h1-5,8,13,21,23H,6-7,9-12H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15.2	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163006 (US9056865, A-133) Show SMILES Clc1ccc(nc1-c1ccccn1)N1CCC(CC1)NS(=O)(=O)C1CC1 Show InChI InChI=1S/C18H21ClN4O2S/c19-15-6-7-17(21-18(15)16-3-1-2-10-20-16)23-11-8-13(9-12-23)22-26(24,25)14-4-5-14/h1-3,6-7,10,13-14,22H,4-5,8-9,11-12H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16.5	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162990 (US9056865, A-117) Show SMILES Cc1ccc(nc1)-c1nc(ccc1Cl)N1CCC(CC1)NS(C)(=O)=O Show InChI InChI=1S/C17H21ClN4O2S/c1-12-3-5-15(19-11-12)17-14(18)4-6-16(20-17)22-9-7-13(8-10-22)21-25(2,23)24/h3-6,11,13,21H,7-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162923 (US9056865, A-50) Show SMILES Cc1cccnc1-c1ccnc(n1)N1CCC(CC1)NS(C)(=O)=O Show InChI InChI=1S/C16H21N5O2S/c1-12-4-3-8-17-15(12)14-5-9-18-16(19-14)21-10-6-13(7-11-21)20-24(2,22)23/h3-5,8-9,13,20H,6-7,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17.7	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163012 (US9056865, A-139) Show SMILES Cc1cnc(c(C)c1)-c1c(Cl)cnc(N2CCC(CC2)NC(=O)CCS(C)(=O)=O)c1F |(-10,-2.03,;-8.67,-1.26,;-7.33,-2.03,;-6,-1.26,;-6,.28,;-7.33,1.05,;-7.33,2.59,;-8.67,.28,;-4.67,1.05,;-4.67,2.59,;-6,3.36,;-3.33,3.36,;-2,2.59,;-2,1.05,;-.67,.28,;-.67,-1.26,;.67,-2.03,;2,-1.26,;2,.28,;.67,1.05,;3.33,-2.03,;4.67,-1.26,;4.67,.28,;6,-2.03,;7.33,-1.26,;8.67,-2.03,;10,-1.26,;7.9,-3.36,;9.44,-3.36,;-3.33,.28,;-3.33,-1.26,)| Show InChI InChI=1S/C21H26ClFN4O3S/c1-13-10-14(2)20(24-11-13)18-16(22)12-25-21(19(18)23)27-7-4-15(5-8-27)26-17(28)6-9-31(3,29)30/h10-12,15H,4-9H2,1-3H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17.8	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162881 (US9056865, A-8) Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O Show InChI InChI=1S/C17H21ClN4O2S/c1-12-4-3-7-19-17(12)14-10-16(20-11-15(14)18)22-8-5-13(6-9-22)21-25(2,23)24/h3-4,7,10-11,13,21H,5-6,8-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18.7	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162885 (US9056865, A-12) Show SMILES CS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(Cl)cc1Cl Show InChI InChI=1S/C16H17Cl3N4O2S/c1-26(24,25)22-11-2-4-23(5-3-11)15-7-12(14(19)9-20-15)16-13(18)6-10(17)8-21-16/h6-9,11,22H,2-5H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18.8	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162987 (US9056865, A-114) Show SMILES CN(C)CC(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C Show InChI InChI=1S/C21H28ClN5O/c1-14-9-15(2)21(24-11-14)17-10-19(23-12-18(17)22)27-7-5-16(6-8-27)25-20(28)13-26(3)4/h9-12,16H,5-8,13H2,1-4H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19.2	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162976 (US9056865, A-103) Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CC(C)(C)O Show InChI InChI=1S/C21H27ClN4O2/c1-14-9-15(2)20(24-12-14)16-10-18(23-13-17(16)22)25-5-7-26(8-6-25)19(27)11-21(3,4)28/h9-10,12-13,28H,5-8,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19.4	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163015 (US9056865, A-142) Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1F)N1CCN(CC1)C(=O)CCS(C)(=O)=O Show InChI InChI=1S/C20H25FN4O3S/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28/h10-13H,4-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20.4	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162982 (US9056865, A-109) Show SMILES Cc1cc(Cl)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O Show InChI InChI=1S/C17H20Cl2N4O2S/c1-11-7-12(18)9-21-17(11)14-8-16(20-10-15(14)19)23-5-3-13(4-6-23)22-26(2,24)25/h7-10,13,22H,3-6H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20.5	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162889 (US9056865, A-16) Show SMILES Cc1cccnc1-c1nc(ccc1Cl)N1CCC(CC1)NS(C)(=O)=O Show InChI InChI=1S/C17H21ClN4O2S/c1-12-4-3-9-19-16(12)17-14(18)5-6-15(20-17)22-10-7-13(8-11-22)21-25(2,23)24/h3-6,9,13,21H,7-8,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20.6	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163022 (US9056865, A-149) Show SMILES Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(=O)(=O)CCO Show InChI InChI=1S/C18H22ClFN4O3S/c1-12-8-13(20)10-22-18(12)15-9-17(21-11-16(15)19)24-4-2-14(3-5-24)23-28(26,27)7-6-25/h8-11,14,23,25H,2-7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20.7	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162981 (US9056865, A-108) Show SMILES Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O Show InChI InChI=1S/C17H20ClFN4O2S/c1-11-7-12(19)9-21-17(11)14-8-16(20-10-15(14)18)23-5-3-13(4-6-23)22-26(2,24)25/h7-10,13,22H,3-6H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20.8	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162920 (US9056865, A-47) Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CC(C)(C)O Show InChI InChI=1S/C20H25ClN4O2/c1-14-5-4-6-22-19(14)15-11-17(23-13-16(15)21)24-7-9-25(10-8-24)18(26)12-20(2,3)27/h4-6,11,13,27H,7-10,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21.7	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162988 (US9056865, A-115) Show SMILES Cc1ccc(nc1)-c1cccc(n1)N1CCC(CC1)NS(C)(=O)=O Show InChI InChI=1S/C17H22N4O2S/c1-13-6-7-15(18-12-13)16-4-3-5-17(19-16)21-10-8-14(9-11-21)20-24(2,22)23/h3-7,12,14,20H,8-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163020 (US9056865, A-147) Show SMILES Cc1ccc(nc1)-c1nc(ccc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O Show InChI InChI=1S/C19H23ClN4O3S/c1-14-3-5-16(21-13-14)19-15(20)4-6-17(22-19)23-8-10-24(11-9-23)18(25)7-12-28(2,26)27/h3-6,13H,7-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22.5	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162984 (US9056865, A-111) Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)S(=O)(=O)CCO Show InChI InChI=1S/C18H23ClN4O3S/c1-13-9-14(2)18(21-11-13)15-10-17(20-12-16(15)19)22-3-5-23(6-4-22)27(25,26)8-7-24/h9-12,24H,3-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23.3	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162907 (US9056865, A-34) Show SMILES Cc1cccnc1-c1nc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O Show InChI InChI=1S/C16H20ClN5O2S/c1-11-4-3-7-18-14(11)15-13(17)10-19-16(20-15)22-8-5-12(6-9-22)21-25(2,23)24/h3-4,7,10,12,21H,5-6,8-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24.4	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162916 (US9056865, A-43) Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)C(=O)C(C)(C)C Show InChI InChI=1S/C20H25ClN4O/c1-14-6-5-7-22-18(14)15-12-17(23-13-16(15)21)24-8-10-25(11-9-24)19(26)20(2,3)4/h5-7,12-13H,8-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25.5	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162947 (US9056865, A-74) Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCC1CN(CC2CC2)C(=O)CO1 Show InChI InChI=1S/C26H32ClN5O3/c1-17-3-2-8-28-25(17)21-11-23(29-13-22(21)27)31-9-6-19(7-10-31)26(34)30-12-20-15-32(14-18-4-5-18)24(33)16-35-20/h2-3,8,11,13,18-20H,4-7,9-10,12,14-16H2,1H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25.5	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162949 (US9056865, A-76) Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NC1(CO)CCCC1 Show InChI InChI=1S/C23H29ClN4O2/c1-16-5-4-10-25-21(16)18-13-20(26-14-19(18)24)28-11-6-17(7-12-28)22(30)27-23(15-29)8-2-3-9-23/h4-5,10,13-14,17,29H,2-3,6-9,11-12,15H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25.8	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162964 (US9056865, A-91) Show SMILES NS(=O)(=O)CC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1 Show InChI InChI=1S/C16H19ClN4O2S/c17-13-4-5-15(20-16(13)14-3-1-2-8-19-14)21-9-6-12(7-10-21)11-24(18,22)23/h1-5,8,12H,6-7,9-11H2,(H2,18,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26.3	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162996 (US9056865, A-123) Show SMILES COCCS(=O)(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1 Show InChI InChI=1S/C18H23ClN4O3S/c1-26-12-13-27(24,25)22-14-7-10-23(11-8-14)17-6-5-15(19)18(21-17)16-4-2-3-9-20-16/h2-6,9,14,22H,7-8,10-13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26.7	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162945 (US9056865, A-72) Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NC1CCCCC1O Show InChI InChI=1S/C23H29ClN4O2/c1-15-5-4-10-25-22(15)17-13-21(26-14-18(17)24)28-11-8-16(9-12-28)23(30)27-19-6-2-3-7-20(19)29/h4-5,10,13-14,16,19-20,29H,2-3,6-9,11-12H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28.3	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162962 (US9056865, A-89) Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:23.25,wD:26.29,(,9.63,;1.33,8.85,;2.67,9.63,;4,8.85,;4,7.31,;2.67,6.54,;1.33,7.31,;,6.54,;,5,;-1.33,4.23,;-2.67,5,;-2.67,6.54,;-1.33,7.31,;-1.33,8.85,;-1.33,2.69,;-2.67,1.93,;-2.67,.38,;-1.33,-.38,;,.38,;,1.93,;-1.33,-1.93,;,-2.69,;-2.67,-2.69,;-2.67,-4.23,;-1.33,-5,;-1.33,-6.54,;-2.67,-7.31,;-2.67,-8.85,;-1.33,-9.63,;-4,-6.54,;-4,-5,)| Show InChI InChI=1S/C24H31ClN4O2/c1-16-3-2-10-26-23(16)20-13-22(27-14-21(20)25)29-11-8-18(9-12-29)24(31)28-19-6-4-17(15-30)5-7-19/h2-3,10,13-14,17-19,30H,4-9,11-12,15H2,1H3,(H,28,31)/t17-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28.5	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162983 (US9056865, A-110) Show SMILES COCCS(=O)(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C Show InChI InChI=1S/C19H25ClN4O3S/c1-14-10-15(2)19(22-12-14)16-11-18(21-13-17(16)20)23-4-6-24(7-5-23)28(25,26)9-8-27-3/h10-13H,4-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29.2	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163027 (US9056865, A-154) Show SMILES Cc1cc(F)cnc1-c1nc(ccc1Cl)N1CCC(CC1)NS(C)(=O)=O Show InChI InChI=1S/C17H20ClFN4O2S/c1-11-9-12(19)10-20-16(11)17-14(18)3-4-15(21-17)23-7-5-13(6-8-23)22-26(2,24)25/h3-4,9-10,13,22H,5-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29.2	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163017 (US9056865, A-144) Show SMILES Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NC(=O)CCS(C)(=O)=O Show InChI InChI=1S/C20H24ClFN4O3S/c1-13-9-14(22)11-24-20(13)16-10-18(23-12-17(16)21)26-6-3-15(4-7-26)25-19(27)5-8-30(2,28)29/h9-12,15H,3-8H2,1-2H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29.8	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162970 (US9056865, A-97) Show SMILES Cc1cccnc1-c1nc(ncc1Cl)N1CCC(CS(C)(=O)=O)CC1 Show InChI InChI=1S/C17H21ClN4O2S/c1-12-4-3-7-19-15(12)16-14(18)10-20-17(21-16)22-8-5-13(6-9-22)11-25(2,23)24/h3-4,7,10,13H,5-6,8-9,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163004 (US9056865, A-131) Show SMILES CC(C)(O)CC(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1 Show InChI InChI=1S/C20H25ClN4O2/c1-20(2,27)13-18(26)23-14-8-11-25(12-9-14)17-7-6-15(21)19(24-17)16-5-3-4-10-22-16/h3-7,10,14,27H,8-9,11-13H2,1-2H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30.5	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM163001 (US9056865, A-128) Show SMILES CS(=O)(=O)CCC(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1 Show InChI InChI=1S/C19H23ClN4O3S/c1-28(26,27)13-9-18(25)22-14-7-11-24(12-8-14)17-6-5-15(20)19(23-17)16-4-2-3-10-21-16/h2-6,10,14H,7-9,11-13H2,1H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31.3	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162883 (US9056865, A-10) Show SMILES CS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1Cl Show InChI InChI=1S/C16H18Cl2N4O2S/c1-25(23,24)21-11-4-7-22(8-5-11)15-9-12(14(18)10-20-15)16-13(17)3-2-6-19-16/h2-3,6,9-11,21H,4-5,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32.1	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162954 (US9056865, A-81) Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@@H]1CCCC[C@H]1O |r| Show InChI InChI=1S/C23H29ClN4O2/c1-15-5-4-10-25-22(15)17-13-21(26-14-18(17)24)28-11-8-16(9-12-28)23(30)27-19-6-2-3-7-20(19)29/h4-5,10,13-14,16,19-20,29H,2-3,6-9,11-12H2,1H3,(H,27,30)/t19-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32.6	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM162884 (US9056865, A-11) Show SMILES CS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ccc(Cl)cn1 Show InChI InChI=1S/C16H18Cl2N4O2S/c1-25(23,24)21-12-4-6-22(7-5-12)16-8-13(14(18)10-20-16)15-3-2-11(17)9-19-15/h2-3,8-10,12,21H,4-7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32.9	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair

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