Compile Data Set for Download or QSAR

Found 585 hits with Last Name = 'bhosale' and Initial = 'vm'   

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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM363753 (US9855229, Compound 7) Show SMILES OC(=O)c1ccc(N2C=C(C3C=CC=C(F)C23)C(=O)c2c(Cl)cccc2Cl)c(F)c1 |c:8,11,t:13| Show InChI InChI=1S/C22H13Cl2F2NO3/c23-14-4-2-5-15(24)19(14)21(28)13-10-27(20-12(13)3-1-6-16(20)25)18-8-7-11(22(29)30)9-17(18)26/h1-10,12,20H,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.615	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description The assay is based on the principle that binding of the agonist to the RORγ causes a conformational change around helix 12 in the ligand binding...				J Med Chem 46: 3709-27 (2003) BindingDB Entry DOI: 10.7270/Q20867MM
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191653 (US9186360, 57) Show SMILES Cn1c2occ(CC(=O)Nc3nc(cs3)-c3cc(Cl)c(OCC(F)(F)F)c(Cl)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H15Cl2F3N4O5S/c1-29-17(32)15-10(6-34-18(15)30(2)20(29)33)5-14(31)28-19-27-13(7-36-19)9-3-11(22)16(12(23)4-9)35-8-21(24,25)26/h3-4,6-7H,5,8H2,1-2H3,(H,27,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.45	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM60874 (US9186360, 62) Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(OCC(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H17F5N4O5S/c1-9-11(16-18(33)30(2)21(34)31(3)19(16)36-9)6-15(32)29-20-28-14(7-37-20)10-4-12(23)17(13(24)5-10)35-8-22(25,26)27/h4-5,7H,6,8H2,1-3H3,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.68	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM363754 (US9855229, Compound 8) Show SMILES OC(=O)c1ccc(cc1)N1N=C(C2C=CC=NC12)C(=O)c1c(Cl)cccc1C1CC1 |c:11,14,16| Show InChI InChI=1S/C23H18ClN3O3/c24-18-5-1-3-16(13-6-7-13)19(18)21(28)20-17-4-2-12-25-22(17)27(26-20)15-10-8-14(9-11-15)23(29)30/h1-5,8-13,17,22H,6-7H2,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.98	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description The assay is based on the principle that binding of the agonist to the RORγ causes a conformational change around helix 12 in the ligand binding...				J Med Chem 46: 3709-27 (2003) BindingDB Entry DOI: 10.7270/Q20867MM
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191709 (US9186360, 55) Show SMILES Cn1c2occ(CC(=O)Nc3nc(cs3)-c3cc(F)cc(c3)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H14F4N4O4S/c1-27-16(30)15-10(7-32-17(15)28(2)19(27)31)5-14(29)26-18-25-13(8-33-18)9-3-11(20(22,23)24)6-12(21)4-9/h3-4,6-8H,5H2,1-2H3,(H,25,26,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.15	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM363752 (US9855229, Compound 6) Show SMILES OC(=O)c1ccc(N2C=C(C3C=CC=CC23)C(=O)c2c(Cl)cccc2Cl)c(F)c1 |c:8,11,13| Show InChI InChI=1S/C22H14Cl2FNO3/c23-15-5-3-6-16(24)20(15)21(27)14-11-26(18-7-2-1-4-13(14)18)19-9-8-12(22(28)29)10-17(19)25/h1-11,13,18H,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description The assay is based on the principle that binding of the agonist to the RORγ causes a conformational change around helix 12 in the ligand binding...				J Med Chem 46: 3709-27 (2003) BindingDB Entry DOI: 10.7270/Q20867MM
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191712 (US9186360, 59) Show SMILES Cn1c2occ(CC(=O)Nc3nc(cs3)-c3cccc(c3F)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H14F4N4O4S/c1-27-16(30)14-9(7-32-17(14)28(2)19(27)31)6-13(29)26-18-25-12(8-33-18)10-4-3-5-11(15(10)21)20(22,23)24/h3-5,7-8H,6H2,1-2H3,(H,25,26,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.21	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191652 (US9186360, 51 | US9186360, 52) Show SMILES Cn1c2scc(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3F)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H13F5N4O3S2/c1-28-16(31)13-8(6-33-17(13)29(2)19(28)32)5-12(30)27-18-26-11(7-34-18)9-3-4-10(21)14(15(9)22)20(23,24)25/h3-4,6-7H,5H2,1-2H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.49	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191713 (US9186360, 61) Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O4S/c1-9-13(16-17(31)28(2)20(32)29(3)18(16)33-9)7-15(30)27-19-26-14(8-34-19)10-4-11(21(23,24)25)6-12(22)5-10/h4-6,8H,7H2,1-3H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.93	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191722 (US9186360, 71) Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16ClF3N4O4S/c1-9-11(16-17(31)28(2)20(32)29(3)18(16)33-9)7-15(30)27-19-26-14(8-34-19)10-4-5-13(22)12(6-10)21(23,24)25/h4-6,8H,7H2,1-3H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.18	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191656 (US9186360, 75) Show SMILES CC(C)COc1c(Cl)cc(cc1Cl)-c1csc(NC(=O)Cc2c(C)oc3n(C)c(=O)n(C)c(=O)c23)n1 Show InChI InChI=1S/C24H24Cl2N4O5S/c1-11(2)9-34-20-15(25)6-13(7-16(20)26)17-10-36-23(27-17)28-18(31)8-14-12(3)35-22-19(14)21(32)29(4)24(33)30(22)5/h6-7,10-11H,8-9H2,1-5H3,(H,27,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.34	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191710 (US9186360, 56) Show SMILES Cn1c2occ(CC(=O)Nc3nc(cs3)-c3cc(F)c(CCC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C22H17F5N4O4S/c1-30-18(33)17-11(8-35-19(17)31(2)21(30)34)7-16(32)29-20-28-15(9-36-20)10-5-13(23)12(14(24)6-10)3-4-22(25,26)27/h5-6,8-9H,3-4,7H2,1-2H3,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.38	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191654 (US9186360, 60) Show SMILES Cn1c2occ(CC(=O)Nc3nc(cs3)-c3cc(F)c(OCC(F)(F)F)c(Cl)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H15ClF4N4O5S/c1-29-17(32)15-10(6-34-18(15)30(2)20(29)33)5-14(31)28-19-27-13(7-36-19)9-3-11(22)16(12(23)4-9)35-8-21(24,25)26/h3-4,6-7H,5,8H2,1-2H3,(H,27,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.54	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191655 (US9186360, 62 | US9186360, 66) Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(OCC(C)(C)C)c(F)c1 Show InChI InChI=1S/C25H26F2N4O5S/c1-12-14(19-21(33)30(5)24(34)31(6)22(19)36-12)9-18(32)29-23-28-17(10-37-23)13-7-15(26)20(16(27)8-13)35-11-25(2,3)4/h7-8,10H,9,11H2,1-6H3,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.63	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191705 (US9186360, 49) Show SMILES CCc1sc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(OCC(F)(F)F)c(F)c1 Show InChI InChI=1S/C23H19F5N4O4S2/c1-4-15-11(17-19(34)31(2)22(35)32(3)20(17)38-15)7-16(33)30-21-29-14(8-37-21)10-5-12(24)18(13(25)6-10)36-9-23(26,27)28/h5-6,8H,4,7,9H2,1-3H3,(H,29,30,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191725 (US9186360, 76) Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(c(F)c1F)C(F)(F)F Show InChI InChI=1S/C21H15F5N4O4S/c1-8-10(14-17(32)29(2)20(33)30(3)18(14)34-8)6-13(31)28-19-27-12(7-35-19)9-4-5-11(21(24,25)26)16(23)15(9)22/h4-5,7H,6H2,1-3H3,(H,27,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.02	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191723 (US9186360, 72) Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(c(F)c1)C(F)(F)F Show InChI InChI=1S/C21H15F5N4O4S/c1-8-10(15-17(32)29(2)20(33)30(3)18(15)34-8)6-14(31)28-19-27-13(7-35-19)9-4-11(22)16(12(23)5-9)21(24,25)26/h4-5,7H,6H2,1-3H3,(H,27,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.16	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM363747 (US9855229, Compound 1) Show SMILES CCN1C2C=CC(NC(=O)Cc3ccc(cc3)S(=O)(=O)CC)=CC2N=C1C(C)(C)Oc1ccc(F)cc1F |c:4,22,26| Show InChI InChI=1S/C28H31F2N3O4S/c1-5-33-24-13-10-20(31-26(34)15-18-7-11-21(12-8-18)38(35,36)6-2)17-23(24)32-27(33)28(3,4)37-25-14-9-19(29)16-22(25)30/h7-14,16-17,23-24H,5-6,15H2,1-4H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description The assay is based on the principle that binding of the agonist to the RORγ causes a conformational change around helix 12 in the ligand binding...				J Med Chem 46: 3709-27 (2003) BindingDB Entry DOI: 10.7270/Q20867MM
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191731 (US9186360, 83) Show SMILES Cn1c2snc(CC(=O)Nc3nc(cs3)-c3cc(F)cc(c3)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H13F4N5O3S2/c1-27-15(30)14-11(26-33-16(14)28(2)18(27)31)6-13(29)25-17-24-12(7-32-17)8-3-9(19(21,22)23)5-10(20)4-8/h3-5,7H,6H2,1-2H3,(H,24,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191715 (US9186360, 64) Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(F)c(c1F)C(F)(F)F Show InChI InChI=1S/C21H15F5N4O4S/c1-8-10(14-17(32)29(2)20(33)30(3)18(14)34-8)6-13(31)28-19-27-12(7-35-19)9-4-5-11(22)15(16(9)23)21(24,25)26/h4-5,7H,6H2,1-3H3,(H,27,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.52	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191719 (US9186360, 68) Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(F)c(OC(F)(F)F)c1 Show InChI InChI=1S/C21H16F4N4O5S/c1-9-11(16-17(31)28(2)20(32)29(3)18(16)33-9)7-15(30)27-19-26-13(8-35-19)10-4-5-12(22)14(6-10)34-21(23,24)25/h4-6,8H,7H2,1-3H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.84	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191652 (US9186360, 51 | US9186360, 52) Show SMILES Cn1c2scc(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3F)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H13F5N4O3S2/c1-28-16(31)13-8(6-33-17(13)29(2)19(28)32)5-12(30)27-18-26-11(7-34-18)9-3-4-10(21)14(15(9)22)20(23,24)25/h3-4,6-7H,5H2,1-2H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.84	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191740 (US9186360, 99) Show SMILES Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H13ClF4N4O4S/c1-28-16(31)14-9(15(21)33-17(14)29(2)19(28)32)6-13(30)27-18-26-12(7-34-18)8-3-4-10(11(22)5-8)20(23,24)25/h3-5,7H,6H2,1-2H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.06	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191741 (US9186360, 100) Show SMILES Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3cc(F)cc(c3)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H13ClF4N4O4S/c1-28-16(31)14-11(15(21)33-17(14)29(2)19(28)32)6-13(30)27-18-26-12(7-34-18)8-3-9(20(23,24)25)5-10(22)4-8/h3-5,7H,6H2,1-2H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.15	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191728 (US9186360, 79) Show SMILES Cn1c2snc(CC(=O)Nc3nc(cs3)-c3cccc(c3F)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H13F4N5O3S2/c1-27-15(30)13-10(26-33-16(13)28(2)18(27)31)6-12(29)25-17-24-11(7-32-17)8-4-3-5-9(14(8)20)19(21,22)23/h3-5,7H,6H2,1-2H3,(H,24,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.29	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191724 (US9186360, 74) Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(OCC(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C22H18ClF3N4O5S/c1-10-12(17-18(32)29(2)21(33)30(3)19(17)35-10)7-16(31)28-20-27-14(8-36-20)11-4-5-15(13(23)6-11)34-9-22(24,25)26/h4-6,8H,7,9H2,1-3H3,(H,27,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.29	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191666 (US9186360, 84) Show SMILES Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3F)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H12F5N5O3S2/c1-28-15(31)12-9(27-34-16(12)29(2)18(28)32)5-11(30)26-17-25-10(6-33-17)7-3-4-8(19(22,23)24)14(21)13(7)20/h3-4,6H,5H2,1-2H3,(H,25,26,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.35	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191648 (US9186360, 33) Show SMILES Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3cc(F)c(c(F)c3)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C22H15F5N4O3S/c1-30-15-5-3-4-10(17(15)19(33)31(2)21(30)34)8-16(32)29-20-28-14(9-35-20)11-6-12(23)18(13(24)7-11)22(25,26)27/h3-7,9H,8H2,1-2H3,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.37	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM363749 (US9855229, Compound 3) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC(C)(C)c3ccc(Cl)cc3Cl)cc2)cc1 Show InChI InChI=1S/C25H25Cl2NO4S/c1-4-33(30,31)21-12-5-17(6-13-21)15-24(29)28-19-8-10-20(11-9-19)32-25(2,3)22-14-7-18(26)16-23(22)27/h5-14,16H,4,15H2,1-3H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.52	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description The assay is based on the principle that binding of the agonist to the RORγ causes a conformational change around helix 12 in the ligand binding...				J Med Chem 46: 3709-27 (2003) BindingDB Entry DOI: 10.7270/Q20867MM
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191726 (US9186360, 77) Show SMILES Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3F)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H12F5N5O3S2/c1-28-15(31)12-9(27-34-16(12)29(2)18(28)32)5-11(30)26-17-25-10(6-33-17)7-3-4-8(20)13(14(7)21)19(22,23)24/h3-4,6H,5H2,1-2H3,(H,25,26,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50046740 (CHEMBL1939972 | US9186360, 90) Show SMILES COCCCOc1cccc(c1)C1NC(=S)NC2=C1C(=O)c1ccccc21 |c:18| Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,18H,5,10-11H2,1H3,(H2,22,23,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.61	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191647 (US9186360, 32) Show SMILES Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3cc(F)c(OCC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C23H17F5N4O4S/c1-31-16-5-3-4-11(18(16)20(34)32(2)22(31)35)8-17(33)30-21-29-15(9-37-21)12-6-13(24)19(14(25)7-12)36-10-23(26,27)28/h3-7,9H,8,10H2,1-2H3,(H,29,30,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.96	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM363750 (US9855229, Compound 4) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC(C)(C)c3ccc(Cl)cc3Cl)c(F)c2)cc1 Show InChI InChI=1S/C25H24Cl2FNO4S/c1-4-34(31,32)19-9-5-16(6-10-19)13-24(30)29-18-8-12-23(22(28)15-18)33-25(2,3)20-11-7-17(26)14-21(20)27/h5-12,14-15H,4,13H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.99	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description The assay is based on the principle that binding of the agonist to the RORγ causes a conformational change around helix 12 in the ligand binding...				J Med Chem 46: 3709-27 (2003) BindingDB Entry DOI: 10.7270/Q20867MM
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465807 (CHEMBL4291042) Show SMILES CCc1cc(ccc1-c1ccc(cc1)-c1nnn[nH]1)-n1ccnc1 Show InChI InChI=1S/C18H16N6/c1-2-13-11-16(24-10-9-19-12-24)7-8-17(13)14-3-5-15(6-4-14)18-20-22-23-21-18/h3-12H,2H2,1H3,(H,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191657 (US9186360, 80) Show SMILES Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(OC(F)(F)F)c(Cl)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H13ClF3N5O4S2/c1-27-15(30)14-10(26-34-16(14)28(2)18(27)31)6-13(29)25-17-24-11(7-33-17)8-3-4-12(9(20)5-8)32-19(21,22)23/h3-5,7H,6H2,1-2H3,(H,24,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.28	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191689 (US9186360, 28) Show SMILES Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3F)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C22H15F5N4O3S/c1-30-14-5-3-4-10(16(14)19(33)31(2)21(30)34)8-15(32)29-20-28-13(9-35-20)11-6-7-12(22(25,26)27)18(24)17(11)23/h3-7,9H,8H2,1-2H3,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.49	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191716 (US9186360, 65) Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(cc1F)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O4S/c1-9-12(16-17(31)28(2)20(32)29(3)18(16)33-9)7-15(30)27-19-26-14(8-34-19)11-5-4-10(6-13(11)22)21(23,24)25/h4-6,8H,7H2,1-3H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.65	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191729 (US9186360, 81) Show SMILES Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H13F4N5O3S2/c1-27-15(30)14-11(26-33-16(14)28(2)18(27)31)6-13(29)25-17-24-12(7-32-17)8-3-4-9(10(20)5-8)19(21,22)23/h3-5,7H,6H2,1-2H3,(H,24,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.74	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191658 (US9186360, 86) Show SMILES Cn1c2nccc(CC(=O)Nc3nc(cs3)-c3cc(F)c(OCC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C22H16F5N5O4S/c1-31-18-16(19(34)32(2)21(31)35)10(3-4-28-18)7-15(33)30-20-29-14(8-37-20)11-5-12(23)17(13(24)6-11)36-9-22(25,26)27/h3-6,8H,7,9H2,1-2H3,(H,29,30,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.91	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Mus musculus)	BDBM50465805 (CHEMBL4290485) Show SMILES Clc1cc(ccc1-c1ccc(cc1)-n1ccnc1)-c1nnn[nH]1 Show InChI InChI=1S/C16H11ClN6/c17-15-9-12(16-19-21-22-20-16)3-6-14(15)11-1-4-13(5-2-11)23-8-7-18-10-23/h1-10H,(H,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of mouse GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191720 (US9186360, 69) Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O4S/c1-9-11(16-17(31)28(2)20(32)29(3)18(16)33-9)7-15(30)27-19-26-14(8-34-19)10-4-5-13(22)12(6-10)21(23,24)25/h4-6,8H,7H2,1-3H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191663 (US9186360, 104) Show SMILES Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3F)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H12ClF5N4O4S/c1-29-16(32)12-8(15(21)34-17(12)30(2)19(29)33)5-11(31)28-18-27-10(6-35-18)7-3-4-9(20(24,25)26)14(23)13(7)22/h3-4,6H,5H2,1-2H3,(H,27,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.58	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191742 (US9186360, 102) Show SMILES Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3ccc(OC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H13ClF4N4O5S/c1-28-16(31)14-9(15(21)33-17(14)29(2)19(28)32)6-13(30)27-18-26-11(7-35-18)8-3-4-12(10(22)5-8)34-20(23,24)25/h3-5,7H,6H2,1-2H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.67	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191730 (US9186360, 82) Show SMILES Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(OC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H13F4N5O4S2/c1-27-15(30)14-10(26-34-16(14)28(2)18(27)31)6-13(29)25-17-24-11(7-33-17)8-3-4-12(9(20)5-8)32-19(21,22)23/h3-5,7H,6H2,1-2H3,(H,24,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.04	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191700 (US9186360, 44) Show SMILES Cn1c2c[nH]n(CC(=O)Nc3nc(cs3)-c3cc(Cl)c(OCC(C)(C)C)c(Cl)c3)c2c(=O)n(C)c1=O Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.36	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191665 (US9186360, 73) Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(OC(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C21H16ClF3N4O5S/c1-9-11(16-17(31)28(2)20(32)29(3)18(16)33-9)7-15(30)27-19-26-13(8-35-19)10-4-5-14(12(22)6-10)34-21(23,24)25/h4-6,8H,7H2,1-3H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.54	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50442406 (CHEMBL2443061) Show SMILES O[C@@H]1CC2(CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)Oc2c(Cl)cccc12 |r| Show InChI InChI=1S/C21H20ClF3N2O4/c22-16-3-1-2-15-17(28)12-20(31-18(15)16)8-10-27(11-9-20)19(29)26-13-4-6-14(7-5-13)30-21(23,24)25/h1-7,17,28H,8-12H2,(H,26,29)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icili...				Bioorg Med Chem 21: 6542-53 (2013) Article DOI: 10.1016/j.bmc.2013.08.031 BindingDB Entry DOI: 10.7270/Q2TH8P5S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191732 (US9186360, 85) Show SMILES Cn1c2nccc(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H15F4N5O3S/c1-29-17-16(18(32)30(2)20(29)33)11(5-6-26-17)8-15(31)28-19-27-14(9-34-19)10-3-4-12(13(22)7-10)21(23,24)25/h3-7,9H,8H2,1-2H3,(H,27,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.92	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191714 (US9186360, 63) Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(Cl)c(OC(F)(F)F)c1 Show InChI InChI=1S/C21H16ClF3N4O5S/c1-9-11(16-17(31)28(2)20(32)29(3)18(16)33-9)7-15(30)27-19-26-13(8-35-19)10-4-5-12(22)14(6-10)34-21(23,24)25/h4-6,8H,7H2,1-3H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.04	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Rattus norvegicus)	BDBM50465805 (CHEMBL4290485) Show SMILES Clc1cc(ccc1-c1ccc(cc1)-n1ccnc1)-c1nnn[nH]1 Show InChI InChI=1S/C16H11ClN6/c17-15-9-12(16-19-21-22-20-16)3-6-14(15)11-1-4-13(5-2-11)23-8-7-18-10-23/h1-10H,(H,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of rat GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair

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