Compile Data Set for Download or QSAR

Found 3564 hits with Last Name = 'dai' and Initial = 'y'   

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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM106896 (US8592455, 96) Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)| Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM106803 (US8592455, 3) Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)| Show InChI InChI=1S/C23H23F3N6O2/c1-11-9-32(10-16(28)22(11)33)18-5-6-29-8-17(18)30-23(34)21-15(27)7-14(26)20(31-21)19-12(24)3-2-4-13(19)25/h2-8,11,16,22,33H,9-10,27-28H2,1H3,(H,30,34)/t11-,16+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM106896 (US8592455, 96) Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)| Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50445133 (CHEMBL3103869) Show SMILES N[C@@H]1CN(CC[C@H]1O)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r| Show InChI InChI=1S/C22H22F2N6O2/c23-12-2-1-3-13(24)20(12)16-5-4-14(25)21(28-16)22(32)29-17-10-27-8-6-18(17)30-9-7-19(31)15(26)11-30/h1-6,8,10,15,19,31H,7,9,11,25-26H2,(H,29,32)/t15-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM106803 (US8592455, 3) Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)| Show InChI InChI=1S/C23H23F3N6O2/c1-11-9-32(10-16(28)22(11)33)18-5-6-29-8-17(18)30-23(34)21-15(27)7-14(26)20(31-21)19-12(24)3-2-4-13(19)25/h2-8,11,16,22,33H,9-10,27-28H2,1H3,(H,30,34)/t11-,16+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50445124 (CHEMBL3103868) Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r| Show InChI InChI=1S/C22H22F2N6O/c23-14-4-1-5-15(24)20(14)17-7-6-16(26)21(28-17)22(31)29-18-11-27-9-8-19(18)30-10-2-3-13(25)12-30/h1,4-9,11,13H,2-3,10,12,25-26H2,(H,29,31)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by AlphaScreen assay				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM106896 (US8592455, 96) Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)| Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM106803 (US8592455, 3) Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)| Show InChI InChI=1S/C23H23F3N6O2/c1-11-9-32(10-16(28)22(11)33)18-5-6-29-8-17(18)30-23(34)21-15(27)7-14(26)20(31-21)19-12(24)3-2-4-13(19)25/h2-8,11,16,22,33H,9-10,27-28H2,1H3,(H,30,34)/t11-,16+,22+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50445124 (CHEMBL3103868) Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r| Show InChI InChI=1S/C22H22F2N6O/c23-14-4-1-5-15(24)20(14)17-7-6-16(26)21(28-17)22(31)29-18-11-27-9-8-19(18)30-10-2-3-13(25)12-30/h1,4-9,11,13H,2-3,10,12,25-26H2,(H,29,31)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by AlphaScreen assay				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM106870 (US8592455, 70) Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)| Show InChI InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM1 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay				J Med Chem 58: 8373-86 (2015) Article DOI: 10.1021/acs.jmedchem.5b01275 BindingDB Entry DOI: 10.7270/Q2H41VGN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50445124 (CHEMBL3103868) Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r| Show InChI InChI=1S/C22H22F2N6O/c23-14-4-1-5-15(24)20(14)17-7-6-16(26)21(28-17)22(31)29-18-11-27-9-8-19(18)30-10-2-3-13(25)12-30/h1,4-9,11,13H,2-3,10,12,25-26H2,(H,29,31)/t13-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by AlphaScreen assay				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50445133 (CHEMBL3103869) Show SMILES N[C@@H]1CN(CC[C@H]1O)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r| Show InChI InChI=1S/C22H22F2N6O2/c23-12-2-1-3-13(24)20(12)16-5-4-14(25)21(28-16)22(32)29-17-10-27-8-6-18(17)30-9-7-19(31)15(26)11-30/h1-6,8,10,15,19,31H,7,9,11,25-26H2,(H,29,32)/t15-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50445133 (CHEMBL3103869) Show SMILES N[C@@H]1CN(CC[C@H]1O)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r| Show InChI InChI=1S/C22H22F2N6O2/c23-12-2-1-3-13(24)20(12)16-5-4-14(25)21(28-16)22(32)29-17-10-27-8-6-18(17)30-9-7-19(31)15(26)11-30/h1-6,8,10,15,19,31H,7,9,11,25-26H2,(H,29,32)/t15-,19-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM106870 (US8592455, 70) Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)| Show InChI InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM3 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay				J Med Chem 58: 8373-86 (2015) Article DOI: 10.1021/acs.jmedchem.5b01275 BindingDB Entry DOI: 10.7270/Q2H41VGN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50387298 (CHEMBL2048872) Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14| Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50387298 (CHEMBL2048872) Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14| Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM1 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay				J Med Chem 58: 8373-86 (2015) Article DOI: 10.1021/acs.jmedchem.5b01275 BindingDB Entry DOI: 10.7270/Q2H41VGN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM106870 (US8592455, 70) Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)| Show InChI InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.0180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM2 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay				J Med Chem 58: 8373-86 (2015) Article DOI: 10.1021/acs.jmedchem.5b01275 BindingDB Entry DOI: 10.7270/Q2H41VGN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50387298 (CHEMBL2048872) Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14| Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM2 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay				J Med Chem 58: 8373-86 (2015) Article DOI: 10.1021/acs.jmedchem.5b01275 BindingDB Entry DOI: 10.7270/Q2H41VGN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50387298 (CHEMBL2048872) Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14| Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50596723 (CHEMBL5205903 | US20230348421, Compound 59) Show SMILES CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCC(F)(F)F)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114246 BindingDB Entry DOI: 10.7270/Q20P142F
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM23936 (1,3-dichloro-5-[(E)-2-[4-(trifluoromethyl)phenyl]e...) Show SMILES FC(F)(F)c1ccc(\C=C\c2cc(Cl)cc(Cl)c2)cc1 Show InChI InChI=1S/C15H9Cl2F3/c16-13-7-11(8-14(17)9-13)2-1-10-3-5-12(6-4-10)15(18,19)20/h1-9H/b2-1+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50387298 (CHEMBL2048872) Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14| Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin)				ACS Med Chem Lett 4: 1193-7 (2013) Article DOI: 10.1021/ml400307j BindingDB Entry DOI: 10.7270/Q23X8840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50387298 (CHEMBL2048872) Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14| Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PIM3 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay				J Med Chem 58: 8373-86 (2015) Article DOI: 10.1021/acs.jmedchem.5b01275 BindingDB Entry DOI: 10.7270/Q2H41VGN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM220432 (US9296741, 21) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H21N3O4S/c1-3-30(27,28)24-15-9-10-20(29-16-7-5-4-6-8-16)18(13-15)19-14-25(2)22(26)21-17(19)11-12-23-21/h4-14,23-24H,3H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.25	-54.8	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [57-168] (Homo sapiens (Human))	BDBM220432 (US9296741, 21) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H21N3O4S/c1-3-30(27,28)24-15-9-10-20(29-16-7-5-4-6-8-16)18(13-15)19-14-25(2)22(26)21-17(19)11-12-23-21/h4-14,23-24H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.390	-53.7	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM220626 (US9296741, 215) Show SMILES Cn1cc(-c2cc(ccc2OC2CCCCC2)S(C)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H24N2O4S/c1-23-13-18(16-10-11-22-20(16)21(23)24)17-12-15(28(2,25)26)8-9-19(17)27-14-6-4-3-5-7-14/h8-14,22H,3-7H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.460	-53.3	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50457489 (CHEMBL4208129) Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccccn1 Show InChI InChI=1S/C22H20N4O3S/c1-25-12-17-16-9-14(13-30(2,28)29)6-7-18(16)26(19-5-3-4-8-23-19)11-15-10-24-21(20(15)17)22(25)27/h3-10,12,24H,11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to BRD2 bromodomain 1 to 2 (G73 to A560 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by b...				Bioorg Med Chem Lett 28: 1804-1810 (2018) Article DOI: 10.1016/j.bmcl.2018.04.020 BindingDB Entry DOI: 10.7270/Q2542R63
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [57-168] (Homo sapiens (Human))	BDBM220518 (US9296741, 107) Show SMILES Cn1cc(-c2cc(NS(=O)(=O)CC(F)(F)F)ccc2OC2CCCOC2)c2cc[nH]c2c1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM220484 (US9296741, 73) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc([nH]c2c1=O)C(N)=O Show InChI InChI=1S/C22H20N4O5S/c1-26-12-17(16-11-18(21(23)27)24-20(16)22(26)28)15-10-13(25-32(2,29)30)8-9-19(15)31-14-6-4-3-5-7-14/h3-12,24-25H,1-2H3,(H2,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM220452 (US9296741, 41) Show SMILES Cn1cc(-c2cc(CN3CCCS3(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C24H23N3O4S/c1-26-16-21(19-10-11-25-23(19)24(26)28)20-14-17(15-27-12-5-13-32(27,29)30)8-9-22(20)31-18-6-3-2-4-7-18/h2-4,6-11,14,16,25H,5,12-13,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.510	-53.0	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [57-168] (Homo sapiens (Human))	BDBM220516 (US9296741, 105) Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCCOC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.520	-53.0	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM220679 (US9296741, 268) Show SMILES CCS(=O)(=O)c1ccc(OC2CCC(C)(CC2)OC)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |(5.69,1.13,;6.46,2.46,;5.69,3.8,;4.92,5.13,;7.03,4.57,;4.36,3.03,;3.03,3.8,;1.69,3.03,;1.69,1.49,;.36,.72,;-.97,1.49,;-2.31,.72,;-3.64,1.49,;-3.64,3.03,;-5.18,3.08,;-2.31,3.8,;-.97,3.03,;-4.46,4.33,;-6,4.28,;3.03,.72,;4.36,1.49,;3.03,-.82,;4.36,-1.59,;4.36,-3.13,;5.69,-3.9,;3.03,-3.9,;3.03,-5.44,;1.69,-3.13,;.23,-3.61,;-.68,-2.36,;.23,-1.12,;1.69,-1.59,)| Show InChI InChI=1S/C24H30N2O5S/c1-5-32(28,29)17-6-7-21(31-16-8-11-24(2,30-4)12-9-16)19(14-17)20-15-26(3)23(27)22-18(20)10-13-25-22/h6-7,10,13-16,25H,5,8-9,11-12H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.570	-52.8	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260067 (CHEMBL4078267 | US9957263, Example 78) Show SMILES CC(=O)Nc1ccc(CNc2cccc(Oc3ccc(cc3-c3cn(C)c(=O)c4[nH]ccc34)S(C)(=O)=O)c2)cc1 Show InChI InChI=1S/C30H28N4O5S/c1-19(35)33-21-9-7-20(8-10-21)17-32-22-5-4-6-23(15-22)39-28-12-11-24(40(3,37)38)16-26(28)27-18-34(2)30(36)29-25(27)13-14-31-29/h4-16,18,31-32H,17H2,1-3H3,(H,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390899 (N-{4-(2,4-difluorophenoxy)-3-[2-(3-methoxyprop-1-y...) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2c(F)cccc2F)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)C#CCOC Show InChI InChI=1S/C26H23F2N3O5S/c1-4-37(33,34)30-17-10-11-23(36-25-21(27)8-5-9-22(25)28)18(14-17)20-15-31(2)26(32)24-19(20)13-16(29-24)7-6-12-35-3/h5,8-11,13-15,29-30H,4,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.605	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457489 (CHEMBL4208129) Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccccn1 Show InChI InChI=1S/C22H20N4O3S/c1-25-12-17-16-9-14(13-30(2,28)29)6-7-18(16)26(19-5-3-4-8-23-19)11-15-10-24-21(20(15)17)22(25)27/h3-10,12,24H,11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged BRD4 bromodomain 1 to 2 (K57 to K550 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent...				Bioorg Med Chem Lett 28: 1804-1810 (2018) Article DOI: 10.1016/j.bmcl.2018.04.020 BindingDB Entry DOI: 10.7270/Q2542R63
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [57-168] (Homo sapiens (Human))	BDBM220507 (US9296741, 96) Show SMILES Cn1cc(-c2cc(cnc2NC2CCCCC2)S(N)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C19H23N5O3S/c1-24-11-16(14-7-8-21-17(14)19(24)25)15-9-13(28(20,26)27)10-22-18(15)23-12-5-3-2-4-6-12/h7-12,21H,2-6H2,1H3,(H,22,23)(H2,20,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.630	-52.5	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM220495 (US9296741, 84) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(cc2)C(N)=O)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H22N4O5S/c1-3-33(30,31)26-15-6-9-20(32-16-7-4-14(5-8-16)22(24)28)18(12-15)19-13-27(2)23(29)21-17(19)10-11-25-21/h4-13,25-26H,3H2,1-2H3,(H2,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.650	-52.4	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50156345 (CHEMBL3787680 | US9957263, Example 149) Show SMILES CCS(=O)(=O)c1ccc(OC2CCCCC2)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C30H37N5O4S/c1-3-40(37,38)23-9-10-28(39-22-7-5-4-6-8-22)24(15-23)26-19-34(2)30(36)29-25(26)16-27(33-29)20-17-32-35(18-20)21-11-13-31-14-12-21/h9-10,15-19,21-22,31,33H,3-8,11-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.669	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM220431 (US10633379, Compound Z | US9296741, 20) Show SMILES Cn1cc(-c2cc(CO)ccc2Oc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H18N2O3/c1-23-12-18(16-9-10-22-20(16)21(23)25)17-11-14(13-24)7-8-19(17)26-15-5-3-2-4-6-15/h2-12,22,24H,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.680	-52.3	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [57-168] (Homo sapiens (Human))	BDBM220614 (US9296741, 203) Show SMILES CCS(=O)(=O)c1ccc(O[C@H]2CC[C@H](O)CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |wU:10.9,wD:13.13,(5.29,1.39,;6.06,2.73,;5.29,4.06,;4.52,5.39,;6.62,4.83,;3.95,3.29,;2.62,4.06,;1.29,3.29,;1.29,1.75,;-.05,.98,;-1.38,1.75,;-2.71,.98,;-4.05,1.75,;-4.05,3.29,;-5.38,4.06,;-2.71,4.06,;-1.38,3.29,;2.62,.98,;3.95,1.75,;2.62,-.56,;3.95,-1.33,;3.95,-2.87,;5.29,-3.64,;2.62,-3.64,;2.62,-5.18,;1.29,-2.87,;-.18,-3.35,;-1.08,-2.1,;-.18,-.85,;1.29,-1.33,)| Show InChI InChI=1S/C22H26N2O5S/c1-3-30(27,28)16-8-9-20(29-15-6-4-14(25)5-7-15)18(12-16)19-13-24(2)22(26)21-17(19)10-11-23-21/h8-15,23,25H,3-7H2,1-2H3/t14-,15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.690	-52.3	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50457489 (CHEMBL4208129) Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccccn1 Show InChI InChI=1S/C22H20N4O3S/c1-25-12-17-16-9-14(13-30(2,28)29)6-7-18(16)26(19-5-3-4-8-23-19)11-15-10-24-21(20(15)17)22(25)27/h3-10,12,24H,11,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to BRDT bromodomain 1 to 2 (N21to P380 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by br...				Bioorg Med Chem Lett 28: 1804-1810 (2018) Article DOI: 10.1016/j.bmcl.2018.04.020 BindingDB Entry DOI: 10.7270/Q2542R63
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [57-168] (Homo sapiens (Human))	BDBM220520 (US9296741, 109) Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCOCC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C21H25N3O5S/c1-3-30(26,27)23-14-4-5-19(29-15-7-10-28-11-8-15)17(12-14)18-13-24(2)21(25)20-16(18)6-9-22-20/h4-6,9,12-13,15,22-23H,3,7-8,10-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.720	-52.2	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457496 (CHEMBL4217457) Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccc(F)cc1F Show InChI InChI=1S/C23H19F2N3O3S/c1-27-11-17-16-7-13(12-32(2,30)31)3-5-19(16)28(20-6-4-15(24)8-18(20)25)10-14-9-26-22(21(14)17)23(27)29/h3-9,11,26H,10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to BRD4 bromodomain 2 (E352 to M457 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromo...				Bioorg Med Chem Lett 28: 1804-1810 (2018) Article DOI: 10.1016/j.bmcl.2018.04.020 BindingDB Entry DOI: 10.7270/Q2542R63
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [57-168] (Homo sapiens (Human))	BDBM220477 (US9296741, 66) Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCOC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.740	-52.1	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM220614 (US9296741, 203) Show SMILES CCS(=O)(=O)c1ccc(O[C@H]2CC[C@H](O)CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |wU:10.9,wD:13.13,(5.29,1.39,;6.06,2.73,;5.29,4.06,;4.52,5.39,;6.62,4.83,;3.95,3.29,;2.62,4.06,;1.29,3.29,;1.29,1.75,;-.05,.98,;-1.38,1.75,;-2.71,.98,;-4.05,1.75,;-4.05,3.29,;-5.38,4.06,;-2.71,4.06,;-1.38,3.29,;2.62,.98,;3.95,1.75,;2.62,-.56,;3.95,-1.33,;3.95,-2.87,;5.29,-3.64,;2.62,-3.64,;2.62,-5.18,;1.29,-2.87,;-.18,-3.35,;-1.08,-2.1,;-.18,-.85,;1.29,-1.33,)| Show InChI InChI=1S/C22H26N2O5S/c1-3-30(27,28)16-8-9-20(29-15-6-4-14(25)5-7-15)18(12-16)19-13-24(2)22(26)21-17(19)10-11-23-21/h8-15,23,25H,3-7H2,1-2H3/t14-,15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.75	-52.1	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [57-168] (Homo sapiens (Human))	BDBM220471 (US9296741, 60) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCCOC2)c2cc[nH]c2c1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.75	-52.1	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM220434 (US9296741, 23) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C20H18N4O4S/c1-24-12-17(15-8-9-21-18(15)20(24)25)16-10-13(23-29(2,26)27)11-22-19(16)28-14-6-4-3-5-7-14/h3-12,21,23H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.75	-52.1	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [57-168] (Homo sapiens (Human))	BDBM220679 (US9296741, 268) Show SMILES CCS(=O)(=O)c1ccc(OC2CCC(C)(CC2)OC)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |(5.69,1.13,;6.46,2.46,;5.69,3.8,;4.92,5.13,;7.03,4.57,;4.36,3.03,;3.03,3.8,;1.69,3.03,;1.69,1.49,;.36,.72,;-.97,1.49,;-2.31,.72,;-3.64,1.49,;-3.64,3.03,;-5.18,3.08,;-2.31,3.8,;-.97,3.03,;-4.46,4.33,;-6,4.28,;3.03,.72,;4.36,1.49,;3.03,-.82,;4.36,-1.59,;4.36,-3.13,;5.69,-3.9,;3.03,-3.9,;3.03,-5.44,;1.69,-3.13,;.23,-3.61,;-.68,-2.36,;.23,-1.12,;1.69,-1.59,)| Show InChI InChI=1S/C24H30N2O5S/c1-5-32(28,29)17-6-7-21(31-16-8-11-24(2,30-4)12-9-16)19(14-17)20-15-26(3)23(27)22-18(20)10-13-25-22/h6-7,10,13-16,25H,5,8-9,11-12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.760	-52.0	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM220649 (US9296741, 238) Show SMILES Cn1cc(-c2cc(ccc2NCC2CC2)S(N)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C18H20N4O3S/c1-22-10-15(13-6-7-20-17(13)18(22)23)14-8-12(26(19,24)25)4-5-16(14)21-9-11-2-3-11/h4-8,10-11,20-21H,2-3,9H2,1H3,(H2,19,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.780	-52.0	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM220608 (US9296741, 197) Show SMILES CCS(=O)(=O)c1ccc(OC2CCC3(CC2)OCCO3)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C24H28N2O6S/c1-3-33(28,29)17-4-5-21(32-16-6-9-24(10-7-16)30-12-13-31-24)19(14-17)20-15-26(2)23(27)22-18(20)8-11-25-22/h4-5,8,11,14-16,25H,3,6-7,9-10,12-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.790	-52.0	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...				US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ
					More data for this Ligand-Target Pair

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