Compile Data Set for Download or QSAR

Found 187 hits with Last Name = 'karageorge' and Initial = 'gn'   

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
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198694 (US9221796, 23b) Show SMILES Cc1ccc(CN2CC[C@@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-17-2-4-18(5-3-17)16-25-15-12-22(23(25)27)24-13-10-20(11-14-24)19-6-8-21(26)9-7-19/h2-9,20,22,26H,10-16H2,1H3/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198665 (US9221796, 2b) Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r| Show InChI InChI=1S/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198728 (US9221796, 46, P-4) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198726 (US9221796, 46, P-2) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50330324 (CHEMBL4170867) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM198728 (US9221796, 46, P-4) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to GluN2B receptor in human cortex				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50330409 (CHEMBL4168402) Show SMILES Cc1ccc(CN2CC[C@@H](N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1 |r| Show InChI InChI=1S/C23H26F2N2O2/c1-16-2-4-17(5-3-16)14-26-13-11-21(22(26)29)27-12-10-20(23(24,25)15-27)18-6-8-19(28)9-7-18/h2-9,20-21,28H,10-15H2,1H3/t20?,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50330410 (CHEMBL4161899) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198735 (US9221796, 48, P-3) Show SMILES Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r| Show InChI InChI=1S/C22H24F2N2O2/c23-17-5-1-15(2-6-17)13-26-12-10-21(22(26)28)25-11-9-19(20(24)14-25)16-3-7-18(27)8-4-16/h1-8,19-21,27H,9-14H2/t19-,20+,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335593 (3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f...) Show SMILES CC(C)n1nnc(n1)-c1cc(O)cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C22H28N10O/c1-14(2)32-28-21(27-29-32)16-9-18(11-19(33)10-16)26-22-20-15(3-8-31(20)25-13-24-22)12-30-6-4-17(23)5-7-30/h3,8-11,13-14,17,33H,4-7,12,23H2,1-2H3,(H,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM198665 (US9221796, 2b) Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r| Show InChI InChI=1S/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to GluN2B receptor in human cortex				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50155742 (1-[1-(2,2-Diphenyl-ethyl)-7-methoxy-3,4-dihydro-1H...) Show SMILES COc1ccc2CCN(C(CC(c3ccccc3)c3ccccc3)c2c1)C(C)=O Show InChI InChI=1S/C26H27NO2/c1-19(28)27-16-15-22-13-14-23(29-2)17-25(22)26(27)18-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17,24,26H,15-16,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5881-4 (2004) Article DOI: 10.1016/j.bmcl.2004.09.024 BindingDB Entry DOI: 10.7270/Q2T72GX4
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335608 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-fluoro-5-(2...) Show SMILES CC(C)n1nnc(n1)-c1cc(F)cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C22H27FN10/c1-14(2)33-29-21(28-30-33)16-9-17(23)11-19(10-16)27-22-20-15(3-8-32(20)26-13-25-22)12-31-6-4-18(24)5-7-31/h3,8-11,13-14,18H,4-7,12,24H2,1-2H3,(H,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335595 (2-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f...) Show SMILES CC(C)n1nnc(n1)-c1ccc(O)c(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C22H28N10O/c1-14(2)32-28-21(27-29-32)15-3-4-19(33)18(11-15)26-22-20-16(5-10-31(20)25-13-24-22)12-30-8-6-17(23)7-9-30/h3-5,10-11,13-14,17,33H,6-9,12,23H2,1-2H3,(H,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335594 (3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f...) Show SMILES CC(C)c1nc(no1)-c1cc(O)cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C23H28N8O2/c1-14(2)23-28-21(29-33-23)16-9-18(11-19(32)10-16)27-22-20-15(3-8-31(20)26-13-25-22)12-30-6-4-17(24)5-7-30/h3,8-11,13-14,17,32H,4-7,12,24H2,1-2H3,(H,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335565 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-(2-isopropy...) Show SMILES CC(C)n1nnc(n1)-c1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C22H28N10/c1-15(2)32-28-21(27-29-32)16-4-3-5-19(12-16)26-22-20-17(6-11-31(20)25-14-24-22)13-30-9-7-18(23)8-10-30/h3-6,11-12,14-15,18H,7-10,13,23H2,1-2H3,(H,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50155730 (1-[1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydr...) Show SMILES COc1cc2CCN(C(CC(c3ccccc3)c3ccccc3)c2cc1OC)C(C)=O Show InChI InChI=1S/C27H29NO3/c1-19(29)28-15-14-22-16-26(30-2)27(31-3)18-24(22)25(28)17-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16,18,23,25H,14-15,17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5881-4 (2004) Article DOI: 10.1016/j.bmcl.2004.09.024 BindingDB Entry DOI: 10.7270/Q2T72GX4
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50155721 (1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydro-1...) Show SMILES COc1cc2CCN(C=O)C(CC(c3ccccc3)c3ccccc3)c2cc1OC Show InChI InChI=1S/C26H27NO3/c1-29-25-15-21-13-14-27(18-28)24(23(21)17-26(25)30-2)16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,17-18,22,24H,13-14,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5881-4 (2004) Article DOI: 10.1016/j.bmcl.2004.09.024 BindingDB Entry DOI: 10.7270/Q2T72GX4
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335601 (N-(3-fluoro-5-(5-isopropyl-1,2,4-oxadiazol-3-yl)ph...) Show SMILES CNC1CCN(Cc2ccn3ncnc(Nc4cc(F)cc(c4)-c4noc(n4)C(C)C)c23)CC1 Show InChI InChI=1S/C24H29FN8O/c1-15(2)24-30-22(31-34-24)17-10-18(25)12-20(11-17)29-23-21-16(4-9-33(21)28-14-27-23)13-32-7-5-19(26-3)6-8-32/h4,9-12,14-15,19,26H,5-8,13H2,1-3H3,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335579 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-(5-cyclohex...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)-c4noc(n4)C4CCCCC4)c23)CC1 Show InChI InChI=1S/C26H32N8O/c27-21-10-12-33(13-11-21)16-20-9-14-34-23(20)25(28-17-29-34)30-22-8-4-7-19(15-22)24-31-26(35-32-24)18-5-2-1-3-6-18/h4,7-9,14-15,17-18,21H,1-3,5-6,10-13,16,27H2,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335631 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-(5-cyclopen...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)-c4noc(n4)C4CCCC4)c23)CC1 Show InChI InChI=1S/C25H30N8O/c26-20-9-11-32(12-10-20)15-19-8-13-33-22(19)24(27-16-28-33)29-21-7-3-6-18(14-21)23-30-25(34-31-23)17-4-1-2-5-17/h3,6-8,13-14,16-17,20H,1-2,4-5,9-12,15,26H2,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335671 (US9737542, Example 111 | methyl 5-((4-aminopiperid...) Show SMILES COC(=O)c1cn2ncnc(Nc3cccc(c3)-c3nnn(n3)C(C)C)c2c1CN1CCC(N)CC1 Show InChI InChI=1S/C24H30N10O2/c1-15(2)34-30-22(29-31-34)16-5-4-6-18(11-16)28-23-21-19(12-32-9-7-17(25)8-10-32)20(24(35)36-3)13-33(21)27-14-26-23/h4-6,11,13-15,17H,7-10,12,25H2,1-3H3,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335606 (5-((4-aminopiperidin-1-yl)methyl)-N-(4-fluoro-3-(2...) Show SMILES CC(C)(C)OC(=O)NC1CCN(Cc2ccn3ncnc(Nc4ccc(F)c(c4)C#N)c23)CC1 Show InChI InChI=1S/C24H28FN7O2/c1-24(2,3)34-23(33)30-18-7-9-31(10-8-18)14-16-6-11-32-21(16)22(27-15-28-32)29-19-4-5-20(25)17(12-19)13-26/h4-6,11-12,15,18H,7-10,14H2,1-3H3,(H,30,33)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50155726 (1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydro-1...) Show SMILES COC(=O)N1CCc2cc(OC)c(OC)cc2C1CC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H29NO4/c1-30-25-16-21-14-15-28(27(29)32-3)24(23(21)18-26(25)31-2)17-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16,18,22,24H,14-15,17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5881-4 (2004) Article DOI: 10.1016/j.bmcl.2004.09.024 BindingDB Entry DOI: 10.7270/Q2T72GX4
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335648 (N-(3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)-5-methy...) Show SMILES CC(C)n1nnc(n1)-c1cccc(Nc2ncnn3ccc(C)c23)c1 Show InChI InChI=1S/C17H18N8/c1-11(2)25-22-16(21-23-25)13-5-4-6-14(9-13)20-17-15-12(3)7-8-24(15)19-10-18-17/h4-11H,1-3H3,(H,18,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM198728 (US9221796, 46, P-4) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Negative allosteric modulation of human GluN2B receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced chann...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50155744 (CHEMBL365648 | Cyclobutyl-(6,7-dimethoxy-1-pheneth...) Show SMILES COc1cc2CCN(C(CCc3ccccc3)c2cc1OC)C(=O)C1CCC1 Show InChI InChI=1S/C24H29NO3/c1-27-22-15-19-13-14-25(24(26)18-9-6-10-18)21(20(19)16-23(22)28-2)12-11-17-7-4-3-5-8-17/h3-5,7-8,15-16,18,21H,6,9-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5881-4 (2004) Article DOI: 10.1016/j.bmcl.2004.09.024 BindingDB Entry DOI: 10.7270/Q2T72GX4
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50155716 (1-[6-Bromo-1-(2,2-diphenyl-ethyl)-7-methoxy-3,4-di...) Show SMILES COc1cc2C(CC(c3ccccc3)c3ccccc3)N(CCc2cc1Br)C(C)=O Show InChI InChI=1S/C26H26BrNO2/c1-18(29)28-14-13-21-15-24(27)26(30-2)17-23(21)25(28)16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,17,22,25H,13-14,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5881-4 (2004) Article DOI: 10.1016/j.bmcl.2004.09.024 BindingDB Entry DOI: 10.7270/Q2T72GX4
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335663 (4-((3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)amino)-...) Show SMILES CNC(=O)c1ccn2ncnc(Nc3cccc(c3)-c3nnn(n3)C(C)C)c12 Show InChI InChI=1S/C18H19N9O/c1-11(2)27-24-16(23-25-27)12-5-4-6-13(9-12)22-17-15-14(18(28)19-3)7-8-26(15)21-10-20-17/h4-11H,1-3H3,(H,19,28)(H,20,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50155718 (1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydro-1...) Show SMILES COc1cc2CCN(C(CC(c3ccccc3)c3ccccc3)c2cc1OC)C(N)=O Show InChI InChI=1S/C26H28N2O3/c1-30-24-15-20-13-14-28(26(27)29)23(22(20)17-25(24)31-2)16-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15,17,21,23H,13-14,16H2,1-2H3,(H2,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5881-4 (2004) Article DOI: 10.1016/j.bmcl.2004.09.024 BindingDB Entry DOI: 10.7270/Q2T72GX4
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50155734 (1-[1-(2,2-Diphenyl-ethyl)-6,8-dimethoxy-3,4-dihydr...) Show SMILES COc1cc2CCN(C(CC(c3ccccc3)c3ccccc3)c2c(OC)c1)C(C)=O Show InChI InChI=1S/C27H29NO3/c1-19(29)28-15-14-22-16-23(30-2)17-26(31-3)27(22)25(28)18-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16-17,24-25H,14-15,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5881-4 (2004) Article DOI: 10.1016/j.bmcl.2004.09.024 BindingDB Entry DOI: 10.7270/Q2T72GX4
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335662 (5-((dimethylamino)methyl)-N-(3-(2-isopropyl-2H-tet...) Show SMILES CC(C)n1nnc(n1)-c1cccc(Nc2ncnn3ccc(CN(C)C)c23)c1 Show InChI InChI=1S/C19H23N9/c1-13(2)28-24-18(23-25-28)14-6-5-7-16(10-14)22-19-17-15(11-26(3)4)8-9-27(17)21-12-20-19/h5-10,12-13H,11H2,1-4H3,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335650 (N-(3-(5-(1-chloro-2-methylpropan-2-yl)-1,2,4-oxadi...) Show SMILES Cc1ccn2ncnc(Nc3cccc(c3)-c3noc(n3)C(C)(C)CCl)c12 Show InChI InChI=1S/C19H19ClN6O/c1-12-7-8-26-15(12)17(21-11-22-26)23-14-6-4-5-13(9-14)16-24-18(27-25-16)19(2,3)10-20/h4-9,11H,10H2,1-3H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335660 (N-(3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)-5-(meth...) Show SMILES COCc1ccn2ncnc(Nc3cccc(c3)-c3nnn(n3)C(C)C)c12 Show InChI InChI=1S/C18H20N8O/c1-12(2)26-23-17(22-24-26)13-5-4-6-15(9-13)21-18-16-14(10-27-3)7-8-25(16)20-11-19-18/h4-9,11-12H,10H2,1-3H3,(H,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335610 (N-(1-((4-((3-(5-isopropyl-1,3,4-thiadiazol-2-yl)ph...) Show SMILES CC(C)c1nnc(s1)-c1cccc(Nc2ncnn3ccc(CN4CCC(CC4)NC(C)=O)c23)c1 Show InChI InChI=1S/C25H30N8OS/c1-16(2)24-30-31-25(35-24)18-5-4-6-21(13-18)29-23-22-19(7-12-33(22)27-15-26-23)14-32-10-8-20(9-11-32)28-17(3)34/h4-7,12-13,15-16,20H,8-11,14H2,1-3H3,(H,28,34)(H,26,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335614 (N-(3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)-5-(morp...) Show SMILES CC(C)n1nnc(n1)-c1cccc(Nc2ncnn3ccc(CN4CCOCC4)c23)c1 Show InChI InChI=1S/C21H25N9O/c1-15(2)30-26-20(25-27-30)16-4-3-5-18(12-16)24-21-19-17(6-7-29(19)23-14-22-21)13-28-8-10-31-11-9-28/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,22,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335572 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-(5-ethyl-4H...) Show SMILES CCc1nnc([nH]1)-c1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C22H27N9/c1-2-19-27-21(29-28-19)15-4-3-5-18(12-15)26-22-20-16(6-11-31(20)25-14-24-22)13-30-9-7-17(23)8-10-30/h3-6,11-12,14,17H,2,7-10,13,23H2,1H3,(H,24,25,26)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335632 (5-((4-aminopiperidin-1-yl)methyl)-N-(5-(2-isopropy...) Show SMILES CC(C)(C)OC(=O)NC1CCN(Cc2cc(Br)n3ncnc(Nc4cc(cc5cc[nH]c45)C#N)c23)CC1 Show InChI InChI=1S/C26H29BrN8O2/c1-26(2,3)37-25(36)32-19-5-8-34(9-6-19)14-18-12-21(27)35-23(18)24(30-15-31-35)33-20-11-16(13-28)10-17-4-7-29-22(17)20/h4,7,10-12,15,19,29H,5-6,8-9,14H2,1-3H3,(H,32,36)(H,30,31,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335560 (2-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f...) Show SMILES CC(C)c1nc(no1)-c1ccc(O)c(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C23H28N8O2/c1-14(2)23-28-21(29-33-23)15-3-4-19(32)18(11-15)27-22-20-16(5-10-31(20)26-13-25-22)12-30-8-6-17(24)7-9-30/h3-5,10-11,13-14,17,32H,6-9,12,24H2,1-2H3,(H,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335559 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-(5-isopropy...) Show SMILES CC(C)c1nc(no1)-c1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C23H28N8O/c1-15(2)23-28-21(29-32-23)16-4-3-5-19(12-16)27-22-20-17(6-11-31(20)26-14-25-22)13-30-9-7-18(24)8-10-30/h3-6,11-12,14-15,18H,7-10,13,24H2,1-2H3,(H,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335562 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-(5-(tert-bu...) Show SMILES CC(C)(C)c1nc(no1)-c1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C24H30N8O/c1-24(2,3)23-29-21(30-33-23)16-5-4-6-19(13-16)28-22-20-17(7-12-32(20)27-15-26-22)14-31-10-8-18(25)9-11-31/h4-7,12-13,15,18H,8-11,14,25H2,1-3H3,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335605 ((3R,4R)-4-amino-1-((4-((3-(5-isopropyl-1,3,4-thiad...) Show SMILES CC(C)c1nnc(s1)-c1cccc(Nc2ncnn3ccc(CN4CC[C@H]([C@H](O)C4)N(Cc4ccccc4)C(=O)OC(C)(C)C)c23)c1 |r| Show InChI InChI=1S/C35H42N8O3S/c1-23(2)32-39-40-33(47-32)25-12-9-13-27(18-25)38-31-30-26(14-17-43(30)37-22-36-31)20-41-16-15-28(29(44)21-41)42(34(45)46-35(3,4)5)19-24-10-7-6-8-11-24/h6-14,17-18,22-23,28-29,44H,15-16,19-21H2,1-5H3,(H,36,37,38)/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335604 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-(5-cyclopro...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)-c4noc(n4)C4CC4)c23)CC1 Show InChI InChI=1S/C23H26N8O/c24-18-7-9-30(10-8-18)13-17-6-11-31-20(17)22(25-14-26-31)27-19-3-1-2-16(12-19)21-28-23(32-29-21)15-4-5-15/h1-3,6,11-12,14-15,18H,4-5,7-10,13,24H2,(H,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335603 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-fluoro-5-(5...) Show SMILES CC(C)c1nc(no1)-c1cc(F)cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C23H27FN8O/c1-14(2)23-29-21(30-33-23)16-9-17(24)11-19(10-16)28-22-20-15(3-8-32(20)27-13-26-22)12-31-6-4-18(25)5-7-31/h3,8-11,13-14,18H,4-7,12,25H2,1-2H3,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335602 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-5-(5...) Show SMILES CC(C)c1nc(no1)-c1cc(Cl)cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C23H27ClN8O/c1-14(2)23-29-21(30-33-23)16-9-17(24)11-19(10-16)28-22-20-15(3-8-32(20)27-13-26-22)12-31-6-4-18(25)5-7-31/h3,8-11,13-14,18H,4-7,12,25H2,1-2H3,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335599 (N-(3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)-5-((4-(...) Show SMILES CNC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)-c4nnn(n4)C(C)C)c23)CC1 Show InChI InChI=1S/C23H30N10/c1-16(2)33-29-22(28-30-33)17-5-4-6-20(13-17)27-23-21-18(7-12-32(21)26-15-25-23)14-31-10-8-19(24-3)9-11-31/h4-7,12-13,15-16,19,24H,8-11,14H2,1-3H3,(H,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335598 (N-(3-(5-(tert-butyl)-1,2,4-oxadiazol-3-yl)phenyl)-...) Show SMILES CNC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)-c4noc(n4)C(C)(C)C)c23)CC1 Show InChI InChI=1S/C25H32N8O/c1-25(2,3)24-30-22(31-34-24)17-6-5-7-20(14-17)29-23-21-18(8-13-33(21)28-16-27-23)15-32-11-9-19(26-4)10-12-32/h5-8,13-14,16,19,26H,9-12,15H2,1-4H3,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335597 (N-(3-(5-isopropyl-1,3,4-oxadiazol-2-yl)phenyl)-5-(...) Show SMILES CNC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)-c4nnc(o4)C(C)C)c23)CC1 Show InChI InChI=1S/C24H30N8O/c1-16(2)23-29-30-24(33-23)17-5-4-6-20(13-17)28-22-21-18(7-12-32(21)27-15-26-22)14-31-10-8-19(25-3)9-11-31/h4-7,12-13,15-16,19,25H,8-11,14H2,1-3H3,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335596 (N-(3-(5-isopropyl-1,2,4-oxadiazol-3-yl)phenyl)-5-(...) Show SMILES CNC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)-c4noc(n4)C(C)C)c23)CC1 Show InChI InChI=1S/C24H30N8O/c1-16(2)24-29-22(30-33-24)17-5-4-6-20(13-17)28-23-21-18(7-12-32(21)27-15-26-23)14-31-10-8-19(25-3)9-11-31/h4-7,12-13,15-16,19,25H,8-11,14H2,1-3H3,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM335563 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-(5-(tert-pe...) Show SMILES CCC(C)(C)c1nc(no1)-c1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C25H32N8O/c1-4-25(2,3)24-30-22(31-34-24)17-6-5-7-20(14-17)29-23-21-18(8-13-33(21)28-16-27-23)15-32-11-9-19(26)10-12-32/h5-8,13-14,16,19H,4,9-12,15,26H2,1-3H3,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ
					More data for this Ligand-Target Pair

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