Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'altieri' and Initial = 'm'   

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 1 (Homo sapiens (Human))	BDBM50164702 (4-[4-(3H-Benzoimidazol-5-ylamino)-5-trifluoromethy...) Show SMILES NS(=O)(=O)c1ccc(Nc2ncc(c(Nc3ccc4nc[nH]c4c3)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C18H14F3N7O2S/c19-18(20,21)13-8-23-17(27-10-1-4-12(5-2-10)31(22,29)30)28-16(13)26-11-3-6-14-15(7-11)25-9-24-14/h1-9H,(H,24,25)(H2,22,29,30)(H2,23,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164693 (CHEMBL194721 | N*2*-(3H-Benzoimidazol-5-yl)-N*4*-(...) Show SMILES FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccccc1Cl Show InChI InChI=1S/C18H12ClF3N6/c19-12-3-1-2-4-13(12)27-16-11(18(20,21)22)8-23-17(28-16)26-10-5-6-14-15(7-10)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164726 ((3H-Benzoimidazol-5-yl)-(4-isobutoxy-5-trifluorome...) Show SMILES CC(C)COc1nc(Nc2ccc3nc[nH]c3c2)ncc1C(F)(F)F Show InChI InChI=1S/C16H16F3N5O/c1-9(2)7-25-14-11(16(17,18)19)6-20-15(24-14)23-10-3-4-12-13(5-10)22-8-21-12/h3-6,8-9H,7H2,1-2H3,(H,21,22)(H,20,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611567 (US10626144, Compound 25.1) Show SMILES C[C@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164724 (CHEMBL193922 | N*2*-(3H-Benzoimidazol-5-yl)-N*4*-(...) Show SMILES FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1cccc(Cl)c1 Show InChI InChI=1S/C18H12ClF3N6/c19-10-2-1-3-11(6-10)26-16-13(18(20,21)22)8-23-17(28-16)27-12-4-5-14-15(7-12)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611541 (US10626144, Compound 22.15) Show SMILES CC=C(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164706 ((3H-Benzoimidazol-5-yl)-(4-o-tolyloxy-5-trifluorom...) Show SMILES Cc1ccccc1Oc1nc(Nc2ccc3nc[nH]c3c2)ncc1C(F)(F)F Show InChI InChI=1S/C19H14F3N5O/c1-11-4-2-3-5-16(11)28-17-13(19(20,21)22)9-23-18(27-17)26-12-6-7-14-15(8-12)25-10-24-14/h2-10H,1H3,(H,24,25)(H,23,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164725 (CHEMBL193367 | N*2*-(3H-Benzoimidazol-5-yl)-N*4*-(...) Show SMILES FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc(Cl)cc1 Show InChI InChI=1S/C18H12ClF3N6/c19-10-1-3-11(4-2-10)26-16-13(18(20,21)22)8-23-17(28-16)27-12-5-6-14-15(7-12)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164711 (CHEMBL195423 | N*2*-(3H-Benzoimidazol-5-yl)-5-brom...) Show SMILES Fc1ccc(Nc2nc(Nc3ccc4nc[nH]c4c3)ncc2Br)cc1 Show InChI InChI=1S/C17H12BrFN6/c18-13-8-20-17(24-12-5-6-14-15(7-12)22-9-21-14)25-16(13)23-11-3-1-10(19)2-4-11/h1-9H,(H,21,22)(H2,20,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164691 (CHEMBL372464 | N*2*-(3H-Benzoimidazol-5-yl)-N*4*-(...) Show SMILES COc1ccc(Nc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H15F3N6O/c1-29-13-5-2-11(3-6-13)26-17-14(19(20,21)22)9-23-18(28-17)27-12-4-7-15-16(8-12)25-10-24-15/h2-10H,1H3,(H,24,25)(H2,23,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164705 (CHEMBL372465 | N*4*-Benzo[1,3]dioxol-5-yl-N*2*-(3H...) Show SMILES Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc2OCOc2c1 Show InChI InChI=1S/C18H13BrN6O2/c19-12-7-20-18(24-10-1-3-13-14(5-10)22-8-21-13)25-17(12)23-11-2-4-15-16(6-11)27-9-26-15/h1-8H,9H2,(H,21,22)(H2,20,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611535 (US10626144, Compound Odilomycin C) Show SMILES NCCCCNC(=O)[C@H](CCCCN)NC(=O)C(\NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)=C\CCN=C(N)N |wU:59.61,40.40,21.26,wD:47.53,78.80,74.76,63.65,67.69,30.37,8.13,(-15.75,2.94,;-14.51,3.85,;-13.1,3.22,;-11.86,4.13,;-10.45,3.51,;-9.21,4.42,;-7.8,3.8,;-7.63,2.27,;-6.55,4.71,;-6.72,6.24,;-8.13,6.86,;-8.29,8.39,;-9.7,9.01,;-9.87,10.55,;-5.14,4.09,;-3.9,5,;-4.07,6.53,;-2.49,4.37,;-2.33,2.84,;-.92,2.22,;.32,3.13,;-.75,.69,;-2,-.22,;-1.83,-1.75,;-3.07,-2.66,;-2.91,-4.19,;-4.15,-5.1,;.66,.07,;.82,-1.46,;-.42,-2.37,;2.23,-2.09,;3.47,-1.18,;3.31,.36,;1.97,1.12,;2.29,2.63,;3.82,2.79,;4.45,1.39,;2.4,-3.62,;3.81,-4.24,;5.05,-3.33,;3.97,-5.77,;2.83,-6.8,;3.46,-8.21,;4.99,-8.04,;5.31,-6.53,;6.71,-5.9,;6.87,-4.37,;7.96,-6.81,;7.81,-8.34,;6.4,-8.97,;6.24,-10.5,;4.84,-11.13,;9.37,-6.17,;10.62,-7.08,;10.46,-8.61,;12.02,-6.44,;13.27,-7.35,;14.67,-6.72,;14.83,-5.18,;15.92,-7.62,;17.33,-6.99,;18.58,-7.89,;18.42,-9.42,;19.98,-7.26,;21.23,-8.16,;22.63,-7.53,;22.79,-5.99,;23.88,-8.43,;23.73,-9.96,;25.29,-7.8,;26.54,-8.7,;27.94,-8.07,;29.19,-8.97,;30.6,-8.34,;20.14,-5.72,;21.54,-5.09,;18.89,-4.82,;19.04,-3.29,;15.77,-9.15,;14.36,-9.78,;17.02,-10.05,;16.86,-11.58,;-1.25,5.28,;.16,4.66,;1.4,5.57,;2.81,4.95,;4.05,5.86,;5.46,5.24,;3.89,7.39,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164710 (CHEMBL370728 | N*4*-(3H-Benzoimidazol-5-yl)-5-brom...) Show SMILES Clc1cccc(Nc2ncc(Br)c(Nc3ccc4nc[nH]c4c3)n2)c1 Show InChI InChI=1S/C17H12BrClN6/c18-13-8-20-17(24-11-3-1-2-10(19)6-11)25-16(13)23-12-4-5-14-15(7-12)22-9-21-14/h1-9H,(H,21,22)(H2,20,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164695 (CHEMBL193519 | N*2*,N*4*-Bis-(1H-benzoimidazol-5-y...) Show SMILES FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc2nc[nH]c2c1 Show InChI InChI=1S/C19H13F3N8/c20-19(21,22)12-7-23-18(29-11-2-4-14-16(6-11)27-9-25-14)30-17(12)28-10-1-3-13-15(5-10)26-8-24-13/h1-9H,(H,24,26)(H,25,27)(H2,23,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164696 (CHEMBL195641 | N*4*-[4-(3H-Benzoimidazol-5-ylamino...) Show SMILES FC(F)(F)c1cnc(Nc2ccc(NC#N)c(NC#N)c2)nc1Nc1ccc2nc[nH]c2c1 Show InChI InChI=1S/C20H13F3N10/c21-20(22,23)13-7-26-19(32-12-2-3-14(27-8-24)16(6-12)28-9-25)33-18(13)31-11-1-4-15-17(5-11)30-10-29-15/h1-7,10,27-28H,(H,29,30)(H2,26,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164704 (CHEMBL364935 | N*4*-(3H-Benzoimidazol-5-yl)-N*2*-(...) Show SMILES FC(F)(F)c1cnc(Nc2ccc(Br)cc2)nc1Nc1ccc2nc[nH]c2c1 Show InChI InChI=1S/C18H12BrF3N6/c19-10-1-3-11(4-2-10)27-17-23-8-13(18(20,21)22)16(28-17)26-12-5-6-14-15(7-12)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164694 (CHEMBL372503 | N*2*,N*4*-Bis-(1H-benzoimidazol-5-y...) Show SMILES Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc2nc[nH]c2c1 Show InChI InChI=1S/C18H13BrN8/c19-12-7-20-18(26-11-2-4-14-16(6-11)24-9-22-14)27-17(12)25-10-1-3-13-15(5-10)23-8-21-13/h1-9H,(H,21,23)(H,22,24)(H2,20,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164727 (CHEMBL444874 | N*4*-(3H-Benzoimidazol-5-yl)-N*2*-m...) Show SMILES Cc1cccc(Nc2ncc(c(Nc3ccc4nc[nH]c4c3)n2)C(F)(F)F)c1 Show InChI InChI=1S/C19H15F3N6/c1-11-3-2-4-12(7-11)27-18-23-9-14(19(20,21)22)17(28-18)26-13-5-6-15-16(8-13)25-10-24-15/h2-10H,1H3,(H,24,25)(H2,23,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164703 (CHEMBL363138 | N*4*-(3H-Benzoimidazol-5-yl)-5-trif...) Show SMILES FC(F)(F)c1ccc(Nc2ncc(c(Nc3ccc4nc[nH]c4c3)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C19H12F6N6/c20-18(21,22)10-1-3-11(4-2-10)30-17-26-8-13(19(23,24)25)16(31-17)29-12-5-6-14-15(7-12)28-9-27-14/h1-9H,(H,27,28)(H2,26,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164712 (CHEMBL372672 | N*4*-(3H-Benzoimidazol-5-yl)-N*2*-(...) Show SMILES FC(F)(F)c1cnc(Nc2cccc(Cl)c2)nc1Nc1ccc2nc[nH]c2c1 Show InChI InChI=1S/C18H12ClF3N6/c19-10-2-1-3-11(6-10)27-17-23-8-13(18(20,21)22)16(28-17)26-12-4-5-14-15(7-12)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)	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
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164730 ((3H-Benzoimidazol-5-yl)-(4-isopropoxy-5-trifluorom...) Show SMILES CC(C)Oc1nc(Nc2ccc3nc[nH]c3c2)ncc1C(F)(F)F Show InChI InChI=1S/C15H14F3N5O/c1-8(2)24-13-10(15(16,17)18)6-19-14(23-13)22-9-3-4-11-12(5-9)21-7-20-11/h3-8H,1-2H3,(H,20,21)(H,19,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611534 (US10626144, Compound Odilomycin A) Show SMILES NCCCCNC(=O)[C@H](CCC(O)CN)NC(=O)C(\NC(=O)[C@H](CCC(O)CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)=C\CCN=C(N)N |wU:61.63,42.42,22.28,wD:49.55,80.82,76.78,65.67,69.71,32.39,8.14,(-15.75,2.94,;-14.51,3.85,;-13.1,3.22,;-11.86,4.13,;-10.45,3.51,;-9.21,4.42,;-7.8,3.8,;-7.63,2.27,;-6.55,4.71,;-6.72,6.24,;-8.13,6.86,;-8.29,8.39,;-7.05,9.3,;-9.7,9.01,;-9.87,10.55,;-5.14,4.09,;-3.9,5,;-4.07,6.53,;-2.49,4.37,;-2.33,2.84,;-.92,2.22,;.32,3.13,;-.75,.69,;-2,-.22,;-1.83,-1.75,;-3.07,-2.66,;-4.48,-2.04,;-2.91,-4.19,;-4.15,-5.1,;.66,.07,;.82,-1.46,;-.42,-2.37,;2.23,-2.09,;3.47,-1.18,;3.31,.36,;1.97,1.12,;2.29,2.63,;3.82,2.79,;4.45,1.39,;2.4,-3.62,;3.81,-4.24,;5.05,-3.33,;3.97,-5.77,;2.83,-6.8,;3.46,-8.21,;4.99,-8.04,;5.31,-6.53,;6.71,-5.9,;6.87,-4.37,;7.96,-6.81,;7.81,-8.34,;6.4,-8.97,;6.24,-10.5,;4.84,-11.13,;9.37,-6.17,;10.62,-7.08,;10.46,-8.61,;12.02,-6.44,;13.27,-7.35,;14.67,-6.72,;14.83,-5.18,;15.92,-7.62,;17.33,-6.99,;18.58,-7.89,;18.42,-9.42,;19.98,-7.26,;21.23,-8.16,;22.63,-7.53,;22.79,-5.99,;23.88,-8.43,;23.73,-9.96,;25.29,-7.8,;26.54,-8.7,;27.94,-8.07,;29.19,-8.97,;30.6,-8.34,;20.14,-5.72,;21.54,-5.09,;18.89,-4.82,;19.04,-3.29,;15.77,-9.15,;14.36,-9.78,;17.02,-10.05,;16.86,-11.58,;-1.25,5.28,;.16,4.66,;1.4,5.57,;2.81,4.95,;4.05,5.86,;5.46,5.24,;3.89,7.39,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50164693 (CHEMBL194721 | N*2*-(3H-Benzoimidazol-5-yl)-N*4*-(...) Show SMILES FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccccc1Cl Show InChI InChI=1S/C18H12ClF3N6/c19-12-3-1-2-4-13(12)27-16-11(18(20,21)22)8-23-17(28-16)26-10-5-6-14-15(7-10)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 4				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611536 (US10626144, Compound 21.1) Show SMILES NCCCCNC(=O)[C@H](CCCCN)NC(=O)C(\NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)=C\CCNC(N)=N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611546 (US10626144, Compound 24.14) Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cncn1C)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611545 (US10626144, Compound 24.1) Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611552 (US10626144, Compound 24.67) Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC#C)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611549 (US10626144, Compound 24.20) Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611569 (US10626144, Compound 27.1) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611571 (US10626144, Compound 28.1) Show SMILES CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611573 (US10626144, Compound 212.1) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611575 (US10626144, Compound 224.1) Show SMILES NCCCCNC(=O)[C@H](CCCCN)NC(=O)C(\NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@H](CN)OC(=O)C(F)(F)F)=C\CCNC(N)=N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611550 (US10626144, Compound 24.22) Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611547 (US10626144, Compound 24.15) Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cn(C)cn1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611537 (US10626144, Compound 22.3) Show SMILES CN[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](O)CN)C(=O)N[C@@H]([C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611538 (US10626144, Compound 22.4) Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611539 (US10626144, Compound 22.5) Show SMILES NCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611540 (US10626144, Compound 22.12) Show SMILES NCCCCNC(=O)[C@H](CCCCN)NC(=O)C(\NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)=C\CCNC(N)=N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611548 (US10626144, Compound 24.17) Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccn1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611542 (US10626144, Compound 22.16) Show SMILES C[C@H](N)C(=O)N[C@@H]([C@@H](O)CN)C(=O)N[C@@H]([C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611543 (US10626144, Compound 22.23) Show SMILES C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM611544 (US10626144, Compound 22.24) Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)C(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FR01Q2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164717 ((3H-Benzoimidazol-5-yl)-[4-(4-fluoro-phenoxy)-5-tr...) Show SMILES Fc1ccc(Oc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)cc1 Show InChI InChI=1S/C18H11F4N5O/c19-10-1-4-12(5-2-10)28-16-13(18(20,21)22)8-23-17(27-16)26-11-3-6-14-15(7-11)25-9-24-14/h1-9H,(H,24,25)(H,23,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164708 (CHEMBL194032 | N*2*-(3H-Benzoimidazol-5-yl)-5-brom...) Show SMILES Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc(Oc2cccnc2)cc1 Show InChI InChI=1S/C22H16BrN7O/c23-18-12-25-22(29-15-5-8-19-20(10-15)27-13-26-19)30-21(18)28-14-3-6-16(7-4-14)31-17-2-1-9-24-11-17/h1-13H,(H,26,27)(H2,25,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164713 (CHEMBL370485 | N*2*-(3H-Benzoimidazol-5-yl)-5-brom...) Show SMILES Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1NC1CCc2ccccc12 Show InChI InChI=1S/C20H17BrN6/c21-15-10-22-20(25-13-6-8-17-18(9-13)24-11-23-17)27-19(15)26-16-7-5-12-3-1-2-4-14(12)16/h1-4,6,8-11,16H,5,7H2,(H,23,24)(H2,22,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164722 ((3H-Benzoimidazol-5-yl)-(4-cyclohexyloxy-5-trifluo...) Show SMILES FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1OC1CCCCC1 Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)13-9-22-17(26-16(13)27-12-4-2-1-3-5-12)25-11-6-7-14-15(8-11)24-10-23-14/h6-10,12H,1-5H2,(H,23,24)(H,22,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50164691 (CHEMBL372464 | N*2*-(3H-Benzoimidazol-5-yl)-N*4*-(...) Show SMILES COc1ccc(Nc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H15F3N6O/c1-29-13-5-2-11(3-6-13)26-17-14(19(20,21)22)9-23-18(28-17)27-12-4-7-15-16(8-12)25-10-24-15/h2-10H,1H3,(H,24,25)(H2,23,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 4				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50164691 (CHEMBL372464 | N*2*-(3H-Benzoimidazol-5-yl)-N*4*-(...) Show SMILES COc1ccc(Nc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H15F3N6O/c1-29-13-5-2-11(3-6-13)26-17-14(19(20,21)22)9-23-18(28-17)27-12-4-7-15-16(8-12)25-10-24-15/h2-10H,1H3,(H,24,25)(H2,23,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 4				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164714 ((3H-Benzoimidazol-5-yl)-(4-ethoxy-5-trifluoromethy...) Show SMILES CCOc1nc(Nc2ccc3nc[nH]c3c2)ncc1C(F)(F)F Show InChI InChI=1S/C14H12F3N5O/c1-2-23-12-9(14(15,16)17)6-18-13(22-12)21-8-3-4-10-11(5-8)20-7-19-10/h3-7H,2H2,1H3,(H,19,20)(H,18,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50164707 (CHEMBL192374 | N*2*-(3H-Benzoimidazol-5-yl)-5-brom...) Show SMILES Clc1cccc(CNc2nc(Nc3ccc4nc[nH]c4c3)ncc2Br)c1Cl Show InChI InChI=1S/C18H13BrCl2N6/c19-12-8-23-18(26-11-4-5-14-15(6-11)25-9-24-14)27-17(12)22-7-10-2-1-3-13(20)16(10)21/h1-6,8-9H,7H2,(H,24,25)(H2,22,23,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
					More data for this Ligand-Target Pair

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