Compile Data Set for Download or QSAR

Found 703 hits with Last Name = 'benowitz' and Initial = 'ab'   

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
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50545382 (CHEMBL4646450) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CCCCNC(=O)CNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C43H49N11O7/c1-25-30-23-47-43(50-38(30)53(27-8-3-4-9-27)41(60)36(25)26(2)55)48-33-14-12-28(22-46-33)52-20-18-51(19-21-52)17-6-5-16-44-35(57)24-45-31-11-7-10-29-37(31)42(61)54(40(29)59)32-13-15-34(56)49-39(32)58/h7,10-12,14,22-23,27,32,45H,3-6,8-9,13,15-21,24H2,1-2H3,(H,44,57)(H,49,56,58)(H,46,47,48,50)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50545379 (CHEMBL4645010) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)CCCCCCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C |r| Show InChI InChI=1S/C53H72F2N12O6/c1-32-38-30-58-52(63-47(38)67(36-16-12-13-17-36)50(72)44(32)34(3)68)60-42-22-21-37(29-57-42)65-26-24-64(25-27-65)23-14-10-8-9-11-20-43(69)59-35-28-41(49(71)61-45-39(54)18-15-19-40(45)55)66(31-35)51(73)46(53(4,5)6)62-48(70)33(2)56-7/h15,18-19,21-22,29-30,33,35-36,41,46,56H,8-14,16-17,20,23-28,31H2,1-7H3,(H,59,69)(H,61,71)(H,62,70)(H,57,58,60,63)/t33-,35-,41-,46+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50545380 (CHEMBL4645458) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)COCCOCCOCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C |r| Show InChI InChI=1S/C53H72F2N12O9/c1-32-38-29-58-52(63-47(38)67(36-11-8-9-12-36)50(72)44(32)34(3)68)60-42-16-15-37(28-57-42)65-19-17-64(18-20-65)21-22-74-23-24-75-25-26-76-31-43(69)59-35-27-41(49(71)61-45-39(54)13-10-14-40(45)55)66(30-35)51(73)46(53(4,5)6)62-48(70)33(2)56-7/h10,13-16,28-29,33,35-36,41,46,56H,8-9,11-12,17-27,30-31H2,1-7H3,(H,59,69)(H,61,71)(H,62,70)(H,57,58,60,63)/t33-,35-,41-,46+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50545383 (CHEMBL4636355) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CCOCCOCCNC(=O)CNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C45H53N11O9/c1-27-32-25-49-45(52-40(32)55(29-6-3-4-7-29)43(62)38(27)28(2)57)50-35-12-10-30(24-48-35)54-17-15-53(16-18-54)19-21-65-23-22-64-20-14-46-37(59)26-47-33-9-5-8-31-39(33)44(63)56(42(31)61)34-11-13-36(58)51-41(34)60/h5,8-10,12,24-25,29,34,47H,3-4,6-7,11,13-23,26H2,1-2H3,(H,46,59)(H,51,58,60)(H,48,49,50,52)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50545382 (CHEMBL4646450) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CCCCNC(=O)CNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C43H49N11O7/c1-25-30-23-47-43(50-38(30)53(27-8-3-4-9-27)41(60)36(25)26(2)55)48-33-14-12-28(22-46-33)52-20-18-51(19-21-52)17-6-5-16-44-35(57)24-45-31-11-7-10-29-37(31)42(61)54(40(29)59)32-13-15-34(56)49-39(32)58/h7,10-12,14,22-23,27,32,45H,3-6,8-9,13,15-21,24H2,1-2H3,(H,44,57)(H,49,56,58)(H,46,47,48,50)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6309 (6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin-D1 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50545379 (CHEMBL4645010) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)CCCCCCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C |r| Show InChI InChI=1S/C53H72F2N12O6/c1-32-38-30-58-52(63-47(38)67(36-16-12-13-17-36)50(72)44(32)34(3)68)60-42-22-21-37(29-57-42)65-26-24-64(25-27-65)23-14-10-8-9-11-20-43(69)59-35-28-41(49(71)61-45-39(54)18-15-19-40(45)55)66(31-35)51(73)46(53(4,5)6)62-48(70)33(2)56-7/h15,18-19,21-22,29-30,33,35-36,41,46,56H,8-14,16-17,20,23-28,31H2,1-7H3,(H,59,69)(H,61,71)(H,62,70)(H,57,58,60,63)/t33-,35-,41-,46+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50444582 (CHEMBL3099715) Show SMILES OCCNc1cc(nc(n1)-c1n[nH]c2cnccc12)C(F)(F)F Show InChI InChI=1S/C13H11F3N6O/c14-13(15,16)9-5-10(18-3-4-23)20-12(19-9)11-7-1-2-17-6-8(7)21-22-11/h1-2,5-6,23H,3-4H2,(H,21,22)(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal 6xHis-tagged full length recombinant Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) us...				ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50545381 (CHEMBL4649032) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)CCOCCOCCOCCNC(=O)CN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C |r| Show InChI InChI=1S/C56H77F2N13O10/c1-34-40-31-62-55(67-50(40)71(38-11-8-9-12-38)53(77)47(34)36(3)72)64-44-16-15-39(30-61-44)69-21-19-68(20-22-69)33-46(74)60-18-24-80-26-28-81-27-25-79-23-17-45(73)63-37-29-43(52(76)65-48-41(57)13-10-14-42(48)58)70(32-37)54(78)49(56(4,5)6)66-51(75)35(2)59-7/h10,13-16,30-31,35,37-38,43,49,59H,8-9,11-12,17-29,32-33H2,1-7H3,(H,60,74)(H,63,73)(H,65,76)(H,66,75)(H,61,62,64,67)/t35-,37-,43-,49+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
G1/S-specific cyclin-D2 (Homo sapiens (Human))	BDBM6309 (6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclin-D2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50545380 (CHEMBL4645458) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)COCCOCCOCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C |r| Show InChI InChI=1S/C53H72F2N12O9/c1-32-38-29-58-52(63-47(38)67(36-11-8-9-12-36)50(72)44(32)34(3)68)60-42-16-15-37(28-57-42)65-19-17-64(18-20-65)21-22-74-23-24-75-25-26-76-31-43(69)59-35-27-41(49(71)61-45-39(54)13-10-14-40(45)55)66(30-35)51(73)46(53(4,5)6)62-48(70)33(2)56-7/h10,13-16,28-29,33,35-36,41,46,56H,8-9,11-12,17-27,30-31H2,1-7H3,(H,59,69)(H,61,71)(H,62,70)(H,57,58,60,63)/t33-,35-,41-,46+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50545383 (CHEMBL4636355) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CCOCCOCCNC(=O)CNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C45H53N11O9/c1-27-32-25-49-45(52-40(32)55(29-6-3-4-7-29)43(62)38(27)28(2)57)50-35-12-10-30(24-48-35)54-17-15-53(16-18-54)19-21-65-23-22-64-20-14-46-37(59)26-47-33-9-5-8-31-39(33)44(63)56(42(31)61)34-11-13-36(58)51-41(34)60/h5,8-10,12,24-25,29,34,47H,3-4,6-7,11,13-23,26H2,1-2H3,(H,46,59)(H,51,58,60)(H,48,49,50,52)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50545384 (CHEMBL4548417) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC(=O)NCCOCCOCCOCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C47H57N11O10/c1-29-34-27-51-47(54-42(34)57(31-6-3-4-7-31)45(64)40(29)30(2)59)52-37-12-10-32(26-50-37)56-18-16-55(17-19-56)28-39(61)49-15-21-67-23-25-68-24-22-66-20-14-48-35-9-5-8-33-41(35)46(65)58(44(33)63)36-11-13-38(60)53-43(36)62/h5,8-10,12,26-27,31,36,48H,3-4,6-7,11,13-25,28H2,1-2H3,(H,49,61)(H,53,60,62)(H,50,51,52,54)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50545376 (CHEMBL4638166) Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r| Show InChI InChI=1S/C55H73N11O6S/c1-34-43-31-57-54(62-50(43)66(40-15-12-13-16-40)52(71)47(34)37(4)67)60-45-23-22-41(30-56-45)64-27-25-63(26-28-64)24-14-10-8-9-11-17-46(69)61-49(55(5,6)7)53(72)65-32-42(68)29-44(65)51(70)59-35(2)38-18-20-39(21-19-38)48-36(3)58-33-73-48/h18-23,30-31,33,35,40,42,44,49,68H,8-17,24-29,32H2,1-7H3,(H,59,70)(H,61,69)(H,56,57,60,62)/t35-,42+,44-,49+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6309 (6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50545378 (CHEMBL4638298) Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C)c1ccc(cc1)-c1nc(C)cs1 |r| Show InChI InChI=1S/C58H78N12O10S/c1-36-35-81-54(62-36)41-14-12-40(13-15-41)38(3)63-53(75)46-30-44(72)33-69(46)56(77)51(58(5,6)7)65-48(73)18-24-78-26-28-80-29-27-79-25-19-59-49(74)34-67-20-22-68(23-21-67)43-16-17-47(60-31-43)64-57-61-32-45-37(2)50(39(4)71)55(76)70(52(45)66-57)42-10-8-9-11-42/h12-17,31-32,35,38,42,44,46,51,72H,8-11,18-30,33-34H2,1-7H3,(H,59,74)(H,63,75)(H,65,73)(H,60,61,64,66)/t38-,44+,46-,51+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50545381 (CHEMBL4649032) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)CCOCCOCCOCCNC(=O)CN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C |r| Show InChI InChI=1S/C56H77F2N13O10/c1-34-40-31-62-55(67-50(40)71(38-11-8-9-12-38)53(77)47(34)36(3)72)64-44-16-15-39(30-61-44)69-21-19-68(20-22-69)33-46(74)60-18-24-80-26-28-81-27-25-79-23-17-45(73)63-37-29-43(52(76)65-48-41(57)13-10-14-42(48)58)70(32-37)54(78)49(56(4,5)6)66-51(75)35(2)59-7/h10,13-16,30-31,35,37-38,43,49,59H,8-9,11-12,17-29,32-33H2,1-7H3,(H,60,74)(H,63,73)(H,65,76)(H,66,75)(H,61,62,64,67)/t35-,37-,43-,49+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50545377 (CHEMBL4640158) Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCCOCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C)c1ccc(cc1)-c1nc(C)cs1 |r| Show InChI InChI=1S/C55H73N11O9S/c1-34-33-76-51(58-34)39-14-12-38(13-15-39)36(3)59-50(70)44-28-42(68)31-65(44)53(72)48(55(5,6)7)61-46(69)32-75-27-26-74-25-24-73-23-22-63-18-20-64(21-19-63)41-16-17-45(56-29-41)60-54-57-30-43-35(2)47(37(4)67)52(71)66(49(43)62-54)40-10-8-9-11-40/h12-17,29-30,33,36,40,42,44,48,68H,8-11,18-28,31-32H2,1-7H3,(H,59,70)(H,61,69)(H,56,57,60,62)/t36-,42+,44-,48+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50545384 (CHEMBL4548417) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC(=O)NCCOCCOCCOCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C47H57N11O10/c1-29-34-27-51-47(54-42(34)57(31-6-3-4-7-31)45(64)40(29)30(2)59)52-37-12-10-32(26-50-37)56-18-16-55(17-19-56)28-39(61)49-15-21-67-23-25-68-24-22-66-20-14-48-35-9-5-8-33-41(35)46(65)58(44(33)63)36-11-13-38(60)53-43(36)62/h5,8-10,12,26-27,31,36,48H,3-4,6-7,11,13-25,28H2,1-2H3,(H,49,61)(H,53,60,62)(H,50,51,52,54)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM621246 (US11771711, Example 2) Show SMILES CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccc(OS(C)(=O)=O)cc2)nc(N(C)C)c1C#N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 [601-1600] (Homo sapiens (Human))	BDBM491448 (US10975056, Example 422 | US11771711, Reference co...) Show SMILES CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccc(OC)cc2)nc(N2CC[C@H](O)C2)c1C#N |r| Show InChI InChI=1S/C22H23N5O3S/c1-3-16-17(10-23)21(27-9-8-14(28)12-27)26-22(18(16)11-24)31-19(20(25)29)13-4-6-15(30-2)7-5-13/h4-7,14,19,28H,3,8-9,12H2,1-2H3,(H2,25,29)/t14-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491120 ((R)-2-((3,5-dicyano-6-(dimethylamino)-4-ethylpyrid...) Show SMILES CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N(C)C)c1C#N |r| Show InChI InChI=1S/C19H19N5OS/c1-4-13-14(10-20)18(24(2)3)23-19(15(13)11-21)26-16(17(22)25)12-8-6-5-7-9-12/h5-9,16H,4H2,1-3H3,(H2,22,25)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM6309 (6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM621248 (4-(2-amino-1-((3,5-dicyano-6-(dimethylamino)-4-eth...) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccc(OS(C)(=O)=O)cc2)nc(N(C)C)c1C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50545378 (CHEMBL4638298) Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C)c1ccc(cc1)-c1nc(C)cs1 |r| Show InChI InChI=1S/C58H78N12O10S/c1-36-35-81-54(62-36)41-14-12-40(13-15-41)38(3)63-53(75)46-30-44(72)33-69(46)56(77)51(58(5,6)7)65-48(73)18-24-78-26-28-80-29-27-79-25-19-59-49(74)34-67-20-22-68(23-21-67)43-16-17-47(60-31-43)64-57-61-32-45-37(2)50(39(4)71)55(76)70(52(45)66-57)42-10-8-9-11-42/h12-17,31-32,35,38,42,44,46,51,72H,8-11,18-30,33-34H2,1-7H3,(H,59,74)(H,63,75)(H,65,73)(H,60,61,64,66)/t38-,44+,46-,51+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491224 (US10975056, Example 168 | US11771711, Reference co...) Show SMILES CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N2CC[C@H](O)C2)c1C#N |r| Show InChI InChI=1S/C21H21N5O2S/c1-2-15-16(10-22)20(26-9-8-14(27)12-26)25-21(17(15)11-23)29-18(19(24)28)13-6-4-3-5-7-13/h3-7,14,18,27H,2,8-9,12H2,1H3,(H2,24,28)/t14-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50545377 (CHEMBL4640158) Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCCOCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C)c1ccc(cc1)-c1nc(C)cs1 |r| Show InChI InChI=1S/C55H73N11O9S/c1-34-33-76-51(58-34)39-14-12-38(13-15-39)36(3)59-50(70)44-28-42(68)31-65(44)53(72)48(55(5,6)7)61-46(69)32-75-27-26-74-25-24-73-23-22-63-18-20-64(21-19-63)41-16-17-45(56-29-41)60-54-57-30-43-35(2)47(37(4)67)52(71)66(49(43)62-54)40-10-8-9-11-40/h12-17,29-30,33,36,40,42,44,48,68H,8-11,18-28,31-32H2,1-7H3,(H,59,70)(H,61,69)(H,56,57,60,62)/t36-,42+,44-,48+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50545376 (CHEMBL4638166) Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r| Show InChI InChI=1S/C55H73N11O6S/c1-34-43-31-57-54(62-50(43)66(40-15-12-13-16-40)52(71)47(34)37(4)67)60-45-23-22-41(30-56-45)64-27-25-63(26-28-64)24-14-10-8-9-11-17-46(69)61-49(55(5,6)7)53(72)65-32-42(68)29-44(65)51(70)59-35(2)38-18-20-39(21-19-38)48-36(3)58-33-73-48/h18-23,30-31,33,35,40,42,44,49,68H,8-17,24-29,32H2,1-7H3,(H,59,70)(H,61,69)(H,56,57,60,62)/t35-,42+,44-,49+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50545376 (CHEMBL4638166) Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r| Show InChI InChI=1S/C55H73N11O6S/c1-34-43-31-57-54(62-50(43)66(40-15-12-13-16-40)52(71)47(34)37(4)67)60-45-23-22-41(30-56-45)64-27-25-63(26-28-64)24-14-10-8-9-11-17-46(69)61-49(55(5,6)7)53(72)65-32-42(68)29-44(65)51(70)59-35(2)38-18-20-39(21-19-38)48-36(3)58-33-73-48/h18-23,30-31,33,35,40,42,44,49,68H,8-17,24-29,32H2,1-7H3,(H,59,70)(H,61,69)(H,56,57,60,62)/t35-,42+,44-,49+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127106 BindingDB Entry DOI: 10.7270/Q2JW8JF1
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50444581 (CHEMBL3099713) Show SMILES FC(F)(F)c1cccc(n1)-c1n[nH]c2cnccc12 Show InChI InChI=1S/C12H7F3N4/c13-12(14,15)10-3-1-2-8(17-10)11-7-4-5-16-6-9(7)18-19-11/h1-6H,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal 6xHis-tagged full length recombinant Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) us...				ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50444580 (CHEMBL3099714) Show SMILES OCCNc1cc(nc(c1)C(F)(F)F)-c1n[nH]c2cnccc12 Show InChI InChI=1S/C14H12F3N5O/c15-14(16,17)12-6-8(19-3-4-23)5-10(20-12)13-9-1-2-18-7-11(9)21-22-13/h1-2,5-7,23H,3-4H2,(H,19,20)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal 6xHis-tagged full length recombinant Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) us...				ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491060 (BDBM491430 | US10975056, Example 3 | US10975056, E...) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)C)c1C#N Show InChI InChI=1S/C19H19N5OS/c1-4-13-14(10-20)18(24(2)3)23-19(15(13)11-21)26-16(17(22)25)12-8-6-5-7-9-12/h5-9,16H,4H2,1-3H3,(H2,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491061 (US10975056, Example 4) Show SMILES NC(=O)C(Sc1nc(N2CCCNCC2)c(C#N)c(C2CC2)c1C#N)c1ccccc1 Show InChI InChI=1S/C23H24N6OS/c24-13-17-19(15-7-8-15)18(14-25)23(28-22(17)29-11-4-9-27-10-12-29)31-20(21(26)30)16-5-2-1-3-6-16/h1-3,5-6,15,20,27H,4,7-12H2,(H2,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491062 (2-{[3,5-dicyano-4-cyclopropyl-6-(4-ethyl-1,4-diaze...) Show SMILES CCN1CCCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N Show InChI InChI=1S/C25H28N6OS/c1-2-30-11-6-12-31(14-13-30)24-19(15-26)21(17-9-10-17)20(16-27)25(29-24)33-22(23(28)32)18-7-4-3-5-8-18/h3-5,7-8,17,22H,2,6,9-14H2,1H3,(H2,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491063 (US10975056, Example 6) Show SMILES CCCN1CCCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(CC)c1C#N Show InChI InChI=1S/C25H30N6OS/c1-3-11-30-12-8-13-31(15-14-30)24-20(16-26)19(4-2)21(17-27)25(29-24)33-22(23(28)32)18-9-6-5-7-10-18/h5-7,9-10,22H,3-4,8,11-15H2,1-2H3,(H2,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491064 (2-{[3,5-dicyano-4-ethyl-6-(4-ethyl-1,4-diazepan-1-...) Show SMILES CCN1CCCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(CC)c1C#N Show InChI InChI=1S/C24H28N6OS/c1-3-18-19(15-25)23(30-12-8-11-29(4-2)13-14-30)28-24(20(18)16-26)32-21(22(27)31)17-9-6-5-7-10-17/h5-7,9-10,21H,3-4,8,11-14H2,1-2H3,(H2,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491071 (US10975056, Example 14) Show SMILES NC(=O)C(Sc1nc(N2CCNC(CO)C2)c(C#N)c(C2CC2)c1C#N)c1ccccc1 Show InChI InChI=1S/C23H24N6O2S/c24-10-17-19(14-6-7-14)18(11-25)23(28-22(17)29-9-8-27-16(12-29)13-30)32-20(21(26)31)15-4-2-1-3-5-15/h1-5,14,16,20,27,30H,6-9,12-13H2,(H2,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491073 (US10975056, Example 16) Show SMILES NC(=O)C(Sc1nc(N2CCC(CC2)N2CCOCC2)c(C#N)c(C2CC2)c1C#N)c1ccccc1 Show InChI InChI=1S/C27H30N6O2S/c28-16-21-23(18-6-7-18)22(17-29)27(36-24(25(30)34)19-4-2-1-3-5-19)31-26(21)33-10-8-20(9-11-33)32-12-14-35-15-13-32/h1-5,18,20,24H,6-15H2,(H2,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491074 (2-((3,5-dicyano-4-ethyl-6-(2,8-diazaspiro[4.5]deca...) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC3(CCNC3)CC2)c1C#N Show InChI InChI=1S/C25H28N6OS/c1-2-18-19(14-26)23(31-12-9-25(10-13-31)8-11-29-16-25)30-24(20(18)15-27)33-21(22(28)32)17-6-4-3-5-7-17/h3-7,21,29H,2,8-13,16H2,1H3,(H2,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491080 (US10975056, Example 23) Show SMILES NCC1(O)CCN(CC1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N Show InChI InChI=1S/C24H26N6O2S/c25-12-17-19(15-6-7-15)18(13-26)23(33-20(21(28)31)16-4-2-1-3-5-16)29-22(17)30-10-8-24(32,14-27)9-11-30/h1-5,15,20,32H,6-11,14,27H2,(H2,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491081 (US10975056, Example 24) Show SMILES CNC1CCCN(C1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N Show InChI InChI=1S/C24H26N6OS/c1-28-17-8-5-11-30(14-17)23-18(12-25)20(15-9-10-15)19(13-26)24(29-23)32-21(22(27)31)16-6-3-2-4-7-16/h2-4,6-7,15,17,21,28H,5,8-11,14H2,1H3,(H2,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491082 (US10975056, Example 25) Show SMILES NC1CCCN(C1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N Show InChI InChI=1S/C23H24N6OS/c24-11-17-19(14-8-9-14)18(12-25)23(28-22(17)29-10-4-7-16(26)13-29)31-20(21(27)30)15-5-2-1-3-6-15/h1-3,5-6,14,16,20H,4,7-10,13,26H2,(H2,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491075 (US10975056, Example 18) Show SMILES CN(C)C1CCCN(C1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N Show InChI InChI=1S/C25H28N6OS/c1-30(2)18-9-6-12-31(15-18)24-19(13-26)21(16-10-11-16)20(14-27)25(29-24)33-22(23(28)32)17-7-4-3-5-8-17/h3-5,7-8,16,18,22H,6,9-12,15H2,1-2H3,(H2,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491077 (US10975056, Example 20) Show SMILES CC1CN(CC(C)N1)c1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C2CC2)c1C#N Show InChI InChI=1S/C24H26N6OS/c1-14-12-30(13-15(2)28-14)23-18(10-25)20(16-8-9-16)19(11-26)24(29-23)32-21(22(27)31)17-6-4-3-5-7-17/h3-7,14-16,21,28H,8-9,12-13H2,1-2H3,(H2,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491084 (US10975056, Example 27) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccncc2)nc(N(C)C)c1C#N Show InChI InChI=1S/C18H18N6OS/c1-4-12-13(9-19)17(24(2)3)23-18(14(12)10-20)26-15(16(21)25)11-5-7-22-8-6-11/h5-8,15H,4H2,1-3H3,(H2,21,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491204 (US10975056, Example 148) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)NC(=O)C(C)(C)N)c1C#N Show InChI InChI=1S/C26H31N7O2S/c1-4-18-19(14-27)23(33-12-10-17(11-13-33)31-25(35)26(2,3)30)32-24(20(18)15-28)36-21(22(29)34)16-8-6-5-7-9-16/h5-9,17,21H,4,10-13,30H2,1-3H3,(H2,29,34)(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491205 (US10975056, Example 149) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)OCCN)c1C#N Show InChI InChI=1S/C24H28N6O2S/c1-2-18-19(14-26)23(30-11-8-17(9-12-30)32-13-10-25)29-24(20(18)15-27)33-21(22(28)31)16-6-4-3-5-7-16/h3-7,17,21H,2,8-13,25H2,1H3,(H2,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491209 (US10975056, Example 153) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)OCCOC(=O)[C@@H](N)C(C)C)c1C#N |r| Show InChI InChI=1S/C29H36N6O4S/c1-4-21-22(16-30)27(34-28(23(21)17-31)40-25(26(33)36)19-8-6-5-7-9-19)35-12-10-20(11-13-35)38-14-15-39-29(37)24(32)18(2)3/h5-9,18,20,24-25H,4,10-15,32H2,1-3H3,(H2,33,36)/t24-,25?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491212 (US10975056, Example 156) Show SMILES CCc1c(C#N)c(SCc2ccc(CNC(C)=O)cc2)nc(N2CCC(N)CC2)c1C#N Show InChI InChI=1S/C24H28N6OS/c1-3-20-21(12-25)23(30-10-8-19(27)9-11-30)29-24(22(20)13-26)32-15-18-6-4-17(5-7-18)14-28-16(2)31/h4-7,19H,3,8-11,14-15,27H2,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM491223 (US10975056, Example 167) Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCN2CCNCC2)c1C#N Show InChI InChI=1S/C24H29N7OS/c1-3-18-19(15-25)23(30(2)13-14-31-11-9-28-10-12-31)29-24(20(18)16-26)33-21(22(27)32)17-7-5-4-6-8-17/h4-8,21,28H,3,9-14H2,1-2H3,(H2,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd. US Patent					Assay Description Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...				US Patent US10975056 (2021) BindingDB Entry DOI: 10.7270/Q2VM4GCT
					More data for this Ligand-Target Pair

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