Compile Data Set for Download or QSAR

Found 2024 hits with Last Name = 'lampe' and Initial = 'jw'   

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
Rho-associated protein kinase 2 [11-552] (Homo sapiens (Human))	BDBM97666 (US8476295, 1.1.04) Show SMILES Cc1ccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)cc1OCCO |THB:14:12:8.9:6| Show InChI InChI=1S/C24H30N4O2/c1-16-2-3-17(10-24(16)30-9-8-29)15-28-21-5-6-22(28)13-20(12-21)26-19-4-7-23-18(11-19)14-25-27-23/h2-4,7,10-11,14,20-22,26,29H,5-6,8-9,12-13,15H2,1H3,(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 [11-552] (Homo sapiens (Human))	BDBM97664 (US8476295, 1.1.02) Show SMILES Cc1ccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)cc1 |THB:14:12:8.9:6| Show InChI InChI=1S/C22H26N4/c1-15-2-4-16(5-3-15)14-26-20-7-8-21(26)12-19(11-20)24-18-6-9-22-17(10-18)13-23-25-22/h2-6,9-10,13,19-21,24H,7-8,11-12,14H2,1H3,(H,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 [11-552] (Homo sapiens (Human))	BDBM97665 (US8476295, 1.1.03) Show SMILES OCCOc1cccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)c1 |THB:18:16:12.13:10| Show InChI InChI=1S/C23H28N4O2/c28-8-9-29-22-3-1-2-16(10-22)15-27-20-5-6-21(27)13-19(12-20)25-18-4-7-23-17(11-18)14-24-26-23/h1-4,7,10-11,14,19-21,25,28H,5-6,8-9,12-13,15H2,(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	21	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 [11-552] (Homo sapiens (Human))	BDBM97663 (US8476295, 1.1.01) Show SMILES C(N1C2CCC1CC(C2)Nc1ccc2[nH]ncc2c1)c1ccccc1 |THB:9:7:3.4:1| Show InChI InChI=1S/C21H24N4/c1-2-4-15(5-3-1)14-25-19-7-8-20(25)12-18(11-19)23-17-6-9-21-16(10-17)13-22-24-21/h1-6,9-10,13,18-20,23H,7-8,11-12,14H2,(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	29	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM97666 (US8476295, 1.1.04) Show SMILES Cc1ccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)cc1OCCO |THB:14:12:8.9:6| Show InChI InChI=1S/C24H30N4O2/c1-16-2-3-17(10-24(16)30-9-8-29)15-28-21-5-6-22(28)13-20(12-21)26-19-4-7-23-18(11-19)14-25-27-23/h2-4,7,10-11,14,20-22,26,29H,5-6,8-9,12-13,15H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	35	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM97665 (US8476295, 1.1.03) Show SMILES OCCOc1cccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)c1 |THB:18:16:12.13:10| Show InChI InChI=1S/C23H28N4O2/c28-8-9-29-22-3-1-2-16(10-22)15-27-20-5-6-21(27)13-19(12-20)25-18-4-7-23-17(11-18)14-24-26-23/h1-4,7,10-11,14,19-21,25,28H,5-6,8-9,12-13,15H2,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	59	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM97663 (US8476295, 1.1.01) Show SMILES C(N1C2CCC1CC(C2)Nc1ccc2[nH]ncc2c1)c1ccccc1 |THB:9:7:3.4:1| Show InChI InChI=1S/C21H24N4/c1-2-4-15(5-3-1)14-25-19-7-8-20(25)12-18(11-19)23-17-6-9-21-16(10-17)13-22-24-21/h1-6,9-10,13,18-20,23H,7-8,11-12,14H2,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	72	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM97664 (US8476295, 1.1.02) Show SMILES Cc1ccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)cc1 |THB:14:12:8.9:6| Show InChI InChI=1S/C22H26N4/c1-15-2-4-16(5-3-15)14-26-20-7-8-21(26)12-19(11-20)24-18-6-9-22-17(10-18)13-23-25-22/h2-6,9-10,13,19-21,24H,7-8,11-12,14H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	91	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 [11-552] (Homo sapiens (Human))	BDBM97667 (US8476295, 2.1.01) Show SMILES C(N1C2CCC1CC(C2)Nc1cccc2[nH]ncc12)c1ccccc1 |THB:9:7:3.4:1| Show InChI InChI=1S/C23H25N3/c1-2-5-17(6-3-1)16-26-20-9-10-21(26)14-19(13-20)25-23-8-4-7-18-15-24-12-11-22(18)23/h1-8,11-12,15,19-21,25H,9-10,13-14,16H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	220	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 [11-552] (Homo sapiens (Human))	BDBM97668 (US8476295, 3.1.01) Show SMILES C(N1CC2CCC1C2Nc1ccc2[nH]ncc2c1)c1ccccc1 |TLB:0:1:5.4:7,8:7:1.2:5.4| Show InChI InChI=1S/C20H22N4/c1-2-4-14(5-3-1)12-24-13-15-6-9-19(24)20(15)22-17-7-8-18-16(10-17)11-21-23-18/h1-5,7-8,10-11,15,19-20,22H,6,9,12-13H2,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	464	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM97667 (US8476295, 2.1.01) Show SMILES C(N1C2CCC1CC(C2)Nc1cccc2[nH]ncc12)c1ccccc1 |THB:9:7:3.4:1| Show InChI InChI=1S/C23H25N3/c1-2-5-17(6-3-1)16-26-20-9-10-21(26)14-19(13-20)25-23-8-4-7-18-15-24-12-11-22(18)23/h1-8,11-12,15,19-21,25H,9-10,13-14,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	806	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM97668 (US8476295, 3.1.01) Show SMILES C(N1CC2CCC1C2Nc1ccc2[nH]ncc2c1)c1ccccc1 |TLB:0:1:5.4:7,8:7:1.2:5.4| Show InChI InChI=1S/C20H22N4/c1-2-4-14(5-3-1)12-24-13-15-6-9-19(24)20(15)22-17-7-8-18-16(10-17)11-21-23-18/h1-5,7-8,10-11,15,19-20,22H,6,9,12-13H2,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	976	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Protein kinase C eta type (Homo sapiens (Human))	BDBM3183 (2-({2,6-dihydroxy-4-[({2-[(4-hydroxybenzene)amido]...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCC1NC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	30
Sphinx Laboratories					Assay Description PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.				J Med Chem 39: 5215-27 (1996) Article DOI: 10.1021/jm960581w BindingDB Entry DOI: 10.7270/Q2G73BVV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM3153 (2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)/t17-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Human Protein kinase C delta				Bioorg Med Chem Lett 5: 1839-1842 (1995) Article DOI: 10.1016/0960-894X(95)00303-B BindingDB Entry DOI: 10.7270/Q2QN66R9
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM3183 (2-({2,6-dihydroxy-4-[({2-[(4-hydroxybenzene)amido]...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCC1NC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.5	30
Sphinx Laboratories					Assay Description PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.				J Med Chem 39: 5215-27 (1996) Article DOI: 10.1021/jm960581w BindingDB Entry DOI: 10.7270/Q2G73BVV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM3153 (2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)/t17-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of protein kinase C delta				Bioorg Med Chem Lett 6: 1759-1764 (1996) Article DOI: 10.1016/0960-894X(96)00311-3 BindingDB Entry DOI: 10.7270/Q2QR4X3R
					More data for this Ligand-Target Pair
Protein kinase C eta type (Homo sapiens (Human))	BDBM3153 (2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)/t17-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of protein kinase C eta				Bioorg Med Chem Lett 6: 1759-1764 (1996) Article DOI: 10.1016/0960-894X(96)00311-3 BindingDB Entry DOI: 10.7270/Q2QR4X3R
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50132988 (4-[3-(6-Bromo-pyridin-2-yl)-1H-pyrazol-4-yl]-quino...) Show SMILES Brc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12 Show InChI InChI=1S/C17H11BrN4/c18-16-7-3-6-15(21-16)17-13(10-20-22-17)11-8-9-19-14-5-2-1-4-12(11)14/h1-10H,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
The Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of transforming growth factor- beta dependent luciferase growth in mouse fibroblasts (NIH 3T3)				J Med Chem 46: 3953-6 (2003) Article DOI: 10.1021/jm0205705 BindingDB Entry DOI: 10.7270/Q2RV0N38
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM203706 (US9221809, 257) Show SMILES O=c1[nH]c(nc(NCCN2CCCCC2)c1-c1nc2ccccc2s1)N1CCOCC1 Show InChI InChI=1S/C22H28N6O2S/c29-20-18(21-24-16-6-2-3-7-17(16)31-21)19(23-8-11-27-9-4-1-5-10-27)25-22(26-20)28-12-14-30-15-13-28/h2-3,6-7H,1,4-5,8-15H2,(H2,23,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP. US Patent					Assay Description A 20 ul reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecul...				US Patent US9221809 (2015) BindingDB Entry DOI: 10.7270/Q23B5XZM
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM203804 (US9221809, 355) Show SMILES N[C@H]1CCCC[C@H]1Nc1cccc2sc(nc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP. US Patent					Assay Description A 20 ul reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecul...				US Patent US9221809 (2015) BindingDB Entry DOI: 10.7270/Q23B5XZM
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM203518 (US9221809, 55) Show SMILES OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2nc3cnccc3s2)[C@H](O)[C@@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP. US Patent					Assay Description A 20 ul reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecul...				US Patent US9221809 (2015) BindingDB Entry DOI: 10.7270/Q23B5XZM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50132988 (4-[3-(6-Bromo-pyridin-2-yl)-1H-pyrazol-4-yl]-quino...) Show SMILES Brc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12 Show InChI InChI=1S/C17H11BrN4/c18-16-7-3-6-15(21-16)17-13(10-20-22-17)11-8-9-19-14-5-2-1-4-12(11)14/h1-10H,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
The Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of transforming growth factor- beta dependent luciferase production in mink lung cells (p3TP Lux)				J Med Chem 46: 3953-6 (2003) Article DOI: 10.1021/jm0205705 BindingDB Entry DOI: 10.7270/Q2RV0N38
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50132989 (4-[3-(6-Methyl-pyridin-2-yl)-1H-pyrazol-4-yl]-quin...) Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12 Show InChI InChI=1S/C18H14N4/c1-12-5-4-8-17(21-12)18-15(11-20-22-18)13-9-10-19-16-7-3-2-6-14(13)16/h2-11H,1H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
The Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of transforming growth factor- beta dependent luciferase production in mink lung cells (p3TP Lux)				J Med Chem 46: 3953-6 (2003) Article DOI: 10.1021/jm0205705 BindingDB Entry DOI: 10.7270/Q2RV0N38
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM3186 ((S)-2-[[2,6-Dihydroxy-4-[[[3-(4-hydroxyphenyl)-2-[...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C30H25NO11S/c32-20-11-9-17(10-12-20)13-19(31-43(40,41)21-5-2-1-3-6-21)16-42-30(39)18-14-24(34)27(25(35)15-18)28(36)26-22(29(37)38)7-4-8-23(26)33/h1-12,14-15,19,31-35H,13,16H2,(H,37,38)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sphinx Laboratories					Assay Description PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.				J Med Chem 39: 5215-27 (1996) Article DOI: 10.1021/jm960581w BindingDB Entry DOI: 10.7270/Q2G73BVV
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SETD2 (Homo sapiens (Human))	BDBM50582891 (CHEMBL5078908) Show SMILES CN(C)C1CCN(CC1)c1cc(F)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00272 BindingDB Entry DOI: 10.7270/Q2Z03D29
					More data for this Ligand-Target Pair
Protein kinase C eta type (Homo sapiens (Human))	BDBM3149 (2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sphinx Laboratories					Assay Description PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.				J Med Chem 39: 5215-27 (1996) Article DOI: 10.1021/jm960581w BindingDB Entry DOI: 10.7270/Q2G73BVV
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM3199 ((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxybenzy...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C27H24O9/c28-17-9-7-14(8-10-17)11-15-3-1-6-22(15)36-27(35)16-12-20(30)24(21(31)13-16)25(32)23-18(26(33)34)4-2-5-19(23)29/h2,4-5,7-10,12-13,15,22,28-31H,1,3,6,11H2,(H,33,34)/t15-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sphinx Laboratories					Assay Description PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.				J Med Chem 39: 5215-27 (1996) Article DOI: 10.1021/jm960581w BindingDB Entry DOI: 10.7270/Q2G73BVV
					More data for this Ligand-Target Pair
Protein kinase C eta type (Homo sapiens (Human))	BDBM3186 ((S)-2-[[2,6-Dihydroxy-4-[[[3-(4-hydroxyphenyl)-2-[...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C30H25NO11S/c32-20-11-9-17(10-12-20)13-19(31-43(40,41)21-5-2-1-3-6-21)16-42-30(39)18-14-24(34)27(25(35)15-18)28(36)26-22(29(37)38)7-4-8-23(26)33/h1-12,14-15,19,31-35H,13,16H2,(H,37,38)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sphinx Laboratories					Assay Description PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.				J Med Chem 39: 5215-27 (1996) Article DOI: 10.1021/jm960581w BindingDB Entry DOI: 10.7270/Q2G73BVV
					More data for this Ligand-Target Pair
Protein kinase C eta type (Homo sapiens (Human))	BDBM3199 ((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxybenzy...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C27H24O9/c28-17-9-7-14(8-10-17)11-15-3-1-6-22(15)36-27(35)16-12-20(30)24(21(31)13-16)25(32)23-18(26(33)34)4-2-5-19(23)29/h2,4-5,7-10,12-13,15,22,28-31H,1,3,6,11H2,(H,33,34)/t15-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sphinx Laboratories					Assay Description PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.				J Med Chem 39: 5215-27 (1996) Article DOI: 10.1021/jm960581w BindingDB Entry DOI: 10.7270/Q2G73BVV
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287785 (2-Methyl-2-[6-(6,7,8,9-tetrahydro-5H-benzo[7]annul...) Show SMILES CC(C)(C#N)c1ccc2Nc3ncccc3CN(C(=O)C3CCc4ccccc4CC3)c2c1 Show InChI InChI=1S/C28H28N4O/c1-28(2,18-29)23-13-14-24-25(16-23)32(17-22-8-5-15-30-26(22)31-24)27(33)21-11-9-19-6-3-4-7-20(19)10-12-21/h3-8,13-16,21H,9-12,17H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10086000 (2018) BindingDB Entry DOI: 10.7270/Q2N58PCG
					More data for this Ligand-Target Pair
Protein kinase C eta type (Homo sapiens (Human))	BDBM3199 ((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxybenzy...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C27H24O9/c28-17-9-7-14(8-10-17)11-15-3-1-6-22(15)36-27(35)16-12-20(30)24(21(31)13-16)25(32)23-18(26(33)34)4-2-5-19(23)29/h2,4-5,7-10,12-13,15,22,28-31H,1,3,6,11H2,(H,33,34)/t15-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of protein kinase C delta				Bioorg Med Chem Lett 6: 1759-1764 (1996) Article DOI: 10.1016/0960-894X(96)00311-3 BindingDB Entry DOI: 10.7270/Q2QR4X3R
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM3199 ((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxybenzy...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C27H24O9/c28-17-9-7-14(8-10-17)11-15-3-1-6-22(15)36-27(35)16-12-20(30)24(21(31)13-16)25(32)23-18(26(33)34)4-2-5-19(23)29/h2,4-5,7-10,12-13,15,22,28-31H,1,3,6,11H2,(H,33,34)/t15-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of protein kinase C epsilon				Bioorg Med Chem Lett 6: 1759-1764 (1996) Article DOI: 10.1016/0960-894X(96)00311-3 BindingDB Entry DOI: 10.7270/Q2QR4X3R
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM3199 ((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxybenzy...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C27H24O9/c28-17-9-7-14(8-10-17)11-15-3-1-6-22(15)36-27(35)16-12-20(30)24(21(31)13-16)25(32)23-18(26(33)34)4-2-5-19(23)29/h2,4-5,7-10,12-13,15,22,28-31H,1,3,6,11H2,(H,33,34)/t15-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of protein kinase C beta II				Bioorg Med Chem Lett 6: 1759-1764 (1996) Article DOI: 10.1016/0960-894X(96)00311-3 BindingDB Entry DOI: 10.7270/Q2QR4X3R
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287795 (2-[6-(2,3-dihydro-1H- inden-2-ylcarbonyl)-6,11- di...) Show SMILES CC(C)(C#N)c1ccc2Nc3ncccc3CN(C(=O)C3Cc4ccccc4C3)c2c1 Show InChI InChI=1S/C26H24N4O/c1-26(2,16-27)21-9-10-22-23(14-21)30(15-19-8-5-11-28-24(19)29-22)25(31)20-12-17-6-3-4-7-18(17)13-20/h3-11,14,20H,12-13,15H2,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10086000 (2018) BindingDB Entry DOI: 10.7270/Q2N58PCG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287785 (2-Methyl-2-[6-(6,7,8,9-tetrahydro-5H-benzo[7]annul...) Show SMILES CC(C)(C#N)c1ccc2Nc3ncccc3CN(C(=O)C3CCc4ccccc4CC3)c2c1 Show InChI InChI=1S/C28H28N4O/c1-28(2,18-29)23-13-14-24-25(16-23)32(17-22-8-5-15-30-26(22)31-24)27(33)21-11-9-19-6-3-4-7-20(19)10-12-21/h3-8,13-16,21H,9-12,17H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10086000 (2018) BindingDB Entry DOI: 10.7270/Q2N58PCG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287848 (8-(1,3-dihydro-2H- isoindol-2-ylcarbonyl)-6- (6,7,...) Show SMILES O=C(C1CCc2ccccc2CC1)N1Cc2cccnc2Nc2ccc(cc12)C(=O)N1Cc2ccccc2C1 Show InChI InChI=1S/C33H30N4O2/c38-32(36-19-26-8-3-4-9-27(26)20-36)25-15-16-29-30(18-25)37(21-28-10-5-17-34-31(28)35-29)33(39)24-13-11-22-6-1-2-7-23(22)12-14-24/h1-10,15-18,24H,11-14,19-21H2,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10086000 (2018) BindingDB Entry DOI: 10.7270/Q2N58PCG
					More data for this Ligand-Target Pair
Protein kinase C eta type (Homo sapiens (Human))	BDBM3199 ((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxybenzy...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C27H24O9/c28-17-9-7-14(8-10-17)11-15-3-1-6-22(15)36-27(35)16-12-20(30)24(21(31)13-16)25(32)23-18(26(33)34)4-2-5-19(23)29/h2,4-5,7-10,12-13,15,22,28-31H,1,3,6,11H2,(H,33,34)/t15-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of protein kinase C eta				Bioorg Med Chem Lett 6: 1759-1764 (1996) Article DOI: 10.1016/0960-894X(96)00311-3 BindingDB Entry DOI: 10.7270/Q2QR4X3R
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287883 (8-(1,2-dimethyl-1H- imidazol-5-yl)-6-(6,7,8,9- tet...) Show SMILES Cc1ncc(-c2ccc3Nc4ncccc4CN(C(=O)C4CCc5ccccc5CC4)c3c2)n1C Show InChI InChI=1S/C29H29N5O/c1-19-31-17-27(33(19)2)23-13-14-25-26(16-23)34(18-24-8-5-15-30-28(24)32-25)29(35)22-11-9-20-6-3-4-7-21(20)10-12-22/h3-8,13-17,22H,9-12,18H2,1-2H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10086000 (2018) BindingDB Entry DOI: 10.7270/Q2N58PCG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287886 (8-isoxazol-4-yl-6-(6,7,8,9- tetrahydro-5H- benzo[7...) Show SMILES O=C(C1CCc2ccccc2CC1)N1Cc2cccnc2Nc2ccc(cc12)-c1cnoc1 Show InChI InChI=1S/C27H24N4O2/c32-27(20-9-7-18-4-1-2-5-19(18)8-10-20)31-16-22-6-3-13-28-26(22)30-24-12-11-21(14-25(24)31)23-15-29-33-17-23/h1-6,11-15,17,20H,7-10,16H2,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10086000 (2018) BindingDB Entry DOI: 10.7270/Q2N58PCG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287889 (1-{4-[6-(6,7,8,9-tetrahydro- 5H-benzo[7]annulen-7-...) Show SMILES OC1CCN(C1)c1cc(ccn1)-c1ccc2Nc3ncccc3CN(C(=O)C3CCc4ccccc4CC3)c2c1 Show InChI InChI=1S/C33H33N5O2/c39-28-14-17-37(21-28)31-19-26(13-16-34-31)25-11-12-29-30(18-25)38(20-27-6-3-15-35-32(27)36-29)33(40)24-9-7-22-4-1-2-5-23(22)8-10-24/h1-6,11-13,15-16,18-19,24,28,39H,7-10,14,17,20-21H2,(H,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10086000 (2018) BindingDB Entry DOI: 10.7270/Q2N58PCG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287908 (4-Methyl-5-[6-(6,7,8,9-tetrahydro-5H-benzo[7]annul...) Show SMILES CC1NC(=O)OC1c1ccc2Nc3ncccc3CN(C(=O)C3CCc4ccccc4CC3)c2c1 Show InChI InChI=1S/C28H28N4O3/c1-17-25(35-28(34)30-17)21-12-13-23-24(15-21)32(16-22-7-4-14-29-26(22)31-23)27(33)20-10-8-18-5-2-3-6-19(18)9-11-20/h2-7,12-15,17,20,25H,8-11,16H2,1H3,(H,29,31)(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10086000 (2018) BindingDB Entry DOI: 10.7270/Q2N58PCG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287909 ((4R)-4-(1-Methylethyl)-3-[6-(6,7,8,9-tetrahydro-5H...) Show SMILES CC(C)[C@@H]1COC(=O)N1c1ccc2Nc3ncccc3CN(C(=O)C3CCc4ccccc4CC3)c2c1 |r| Show InChI InChI=1S/C30H32N4O3/c1-19(2)27-18-37-30(36)34(27)24-13-14-25-26(16-24)33(17-23-8-5-15-31-28(23)32-25)29(35)22-11-9-20-6-3-4-7-21(20)10-12-22/h3-8,13-16,19,22,27H,9-12,17-18H2,1-2H3,(H,31,32)/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10086000 (2018) BindingDB Entry DOI: 10.7270/Q2N58PCG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM416186 (6-{[(1R,4R)-4-ethoxy-3,3- difluorocyclohexyl]carbo...) Show SMILES CCO[C@@H]1CC[C@H](CC1(F)F)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1C[C@H]2CC[C@@H]1CO2 |r| Show InChI InChI=1S/C27H32F2N4O3/c1-2-35-24-10-5-17(13-27(24,28)29)26(34)33-14-18-4-3-11-30-25(18)31-22-9-7-19(12-23(22)33)32-15-21-8-6-20(32)16-36-21/h3-4,7,9,11-12,17,20-21,24H,2,5-6,8,10,13-16H2,1H3,(H,30,31)/t17-,20-,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10442819 (2019) BindingDB Entry DOI: 10.7270/Q2HQ428F
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287785 (2-Methyl-2-[6-(6,7,8,9-tetrahydro-5H-benzo[7]annul...) Show SMILES CC(C)(C#N)c1ccc2Nc3ncccc3CN(C(=O)C3CCc4ccccc4CC3)c2c1 Show InChI InChI=1S/C28H28N4O/c1-28(2,18-29)23-13-14-24-25(16-23)32(17-22-8-5-15-30-26(22)31-24)27(33)21-11-9-19-6-3-4-7-20(19)10-12-21/h3-8,13-16,21H,9-12,17H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10508108 (2019) BindingDB Entry DOI: 10.7270/Q2N018X9
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287795 (2-[6-(2,3-dihydro-1H- inden-2-ylcarbonyl)-6,11- di...) Show SMILES CC(C)(C#N)c1ccc2Nc3ncccc3CN(C(=O)C3Cc4ccccc4C3)c2c1 Show InChI InChI=1S/C26H24N4O/c1-26(2,16-27)21-9-10-22-23(14-21)30(15-19-8-5-11-28-24(19)29-22)25(31)20-12-17-6-3-4-7-18(17)13-20/h3-11,14,20H,12-13,15H2,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10508108 (2019) BindingDB Entry DOI: 10.7270/Q2N018X9
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287848 (8-(1,3-dihydro-2H- isoindol-2-ylcarbonyl)-6- (6,7,...) Show SMILES O=C(C1CCc2ccccc2CC1)N1Cc2cccnc2Nc2ccc(cc12)C(=O)N1Cc2ccccc2C1 Show InChI InChI=1S/C33H30N4O2/c38-32(36-19-26-8-3-4-9-27(26)20-36)25-15-16-29-30(18-25)37(21-28-10-5-17-34-31(28)35-29)33(39)24-13-11-22-6-1-2-7-23(22)12-14-24/h1-10,15-18,24H,11-14,19-21H2,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10508108 (2019) BindingDB Entry DOI: 10.7270/Q2N018X9
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM416187 (6-{[(1S,4S)-4-ethoxy-3,3- difluorocyclohexyl]carbo...) Show SMILES CCO[C@H]1CC[C@@H](CC1(F)F)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1C[C@H]2CC[C@@H]1CO2 |r| Show InChI InChI=1S/C27H32F2N4O3/c1-2-35-24-10-5-17(13-27(24,28)29)26(34)33-14-18-4-3-11-30-25(18)31-22-9-7-19(12-23(22)33)32-15-21-8-6-20(32)16-36-21/h3-4,7,9,11-12,17,20-21,24H,2,5-6,8,10,13-16H2,1H3,(H,30,31)/t17-,20+,21+,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10442819 (2019) BindingDB Entry DOI: 10.7270/Q2HQ428F
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287883 (8-(1,2-dimethyl-1H- imidazol-5-yl)-6-(6,7,8,9- tet...) Show SMILES Cc1ncc(-c2ccc3Nc4ncccc4CN(C(=O)C4CCc5ccccc5CC4)c3c2)n1C Show InChI InChI=1S/C29H29N5O/c1-19-31-17-27(33(19)2)23-13-14-25-26(16-23)34(18-24-8-5-15-30-28(24)32-25)29(35)22-11-9-20-6-3-4-7-21(20)10-12-22/h3-8,13-17,22H,9-12,18H2,1-2H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10508108 (2019) BindingDB Entry DOI: 10.7270/Q2N018X9
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287886 (8-isoxazol-4-yl-6-(6,7,8,9- tetrahydro-5H- benzo[7...) Show SMILES O=C(C1CCc2ccccc2CC1)N1Cc2cccnc2Nc2ccc(cc12)-c1cnoc1 Show InChI InChI=1S/C27H24N4O2/c32-27(20-9-7-18-4-1-2-5-19(18)8-10-20)31-16-22-6-3-13-28-26(22)30-24-12-11-21(14-25(24)31)23-15-29-33-17-23/h1-6,11-15,17,20H,7-10,16H2,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10508108 (2019) BindingDB Entry DOI: 10.7270/Q2N018X9
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287908 (4-Methyl-5-[6-(6,7,8,9-tetrahydro-5H-benzo[7]annul...) Show SMILES CC1NC(=O)OC1c1ccc2Nc3ncccc3CN(C(=O)C3CCc4ccccc4CC3)c2c1 Show InChI InChI=1S/C28H28N4O3/c1-17-25(35-28(34)30-17)21-12-13-23-24(15-21)32(16-22-7-4-14-29-26(22)31-23)27(33)20-10-8-18-5-2-3-6-19(18)9-11-20/h2-7,12-15,17,20,25H,8-11,16H2,1H3,(H,29,31)(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10508108 (2019) BindingDB Entry DOI: 10.7270/Q2N018X9
					More data for this Ligand-Target Pair

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