Compile Data Set for Download or QSAR

Found 295 hits Enz. Inhib. hit(s) with all data for entry = 2467   

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
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367317 (Methyl (6RS)-4-oxo-3-(phenylamino)-2-(pyridin-4-yl...) Show SMILES COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367598 (US10227299, Example 288) Show SMILES C=CCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:3.2| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367367 (N-Methyl-4-oxo-3-(phenylamino)-N-propyl-2-(pyridin...) Show SMILES CCCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367368 (N,N-Dimethyl-4-oxo-3-(phenylamino)-2-(pyridin-4-yl...) Show SMILES CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367372 ((6RS)-6-[(Ethylsulfanyl)methyl]-3-(phenylamino)-2-...) Show SMILES CCSCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:4.3| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367593 (US10227299, Example 283) Show SMILES CC(C)(O)[C@@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367349 ((6RS)-6-Ethenyl-3-(phenylamino)-2-(pyridin-4-yl)-1...) Show SMILES C=CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367371 ((6RS)-3-(Phenylamino)-6-[(propan-2-ylsulfanyl)meth...) Show SMILES CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.4| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367412 ((6RS)—N-Methyl-N-(2-methylpropyl)-4-oxo-3-(ph...) Show SMILES CC(C)CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.7| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367472 (Methyl (6RS)-2-[3-(2-methoxyethoxy)pyridin-4-yl]-4...) Show SMILES COCCOc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(=O)OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367507 ((6RS)-2-2-[(4-Fluorobenzoyl)amino]pyridin-4-yl-N,N...) Show SMILES CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1 |w:5.4| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367590 (US10227299, Example 280) Show SMILES CN(C)C(=O)[C@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367592 (US10227299, Example 282) Show SMILES CC(C)(O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:4.3| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367391 ((6RS)-6-[(Ethylsulfonyl)methyl]-3-(phenylamino)-2-...) Show SMILES CCS(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.5| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367454 (Methyl (6RS)-2-2-[(4-fluorobenzoyl)amino]pyridin-4...) Show SMILES COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1 |w:4.3| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367334 ((6RS)—N,N-Dimethyl-4-oxo-3-(phenylamino)-2-(p...) Show SMILES CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.4| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367357 (N-[(6RS)-4-Oxo-3-(phenylamino)-2-(pyridin-4-yl)-4,...) Show SMILES CS(=O)(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367384 (N-(2-Hydroxyethyl)-N-methyl-4-oxo-3-(phenylamino)-...) Show SMILES CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367386 ((6RS)-2-(3-Fluoropyridin-4-yl)-N,N-dimethyl-4-oxo-...) Show SMILES CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |w:5.4| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367432 ((6RS)—N,N-Diethyl-4-oxo-3-(phenylamino)-2-(py...) Show SMILES CCN(CC)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367455 (Methyl (6RS)-4-oxo-3-(phenylamino)-2-2-[(1,3-thiaz...) Show SMILES COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1 |w:4.3| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367463 (N-4-[(6RS)-6-(Azidomethyl)-4-oxo-3-(phenylamino)-4...) Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CN=[N+]=[N-])CC(=O)c2c1Nc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367469 (Methyl (6RS)-3-anilino-2-[3-(cyclopropylmethoxy)py...) Show SMILES COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367509 ((6RS)—N,N-Dimethyl-4-oxo-3-(phenylamino)-2-2-...) Show SMILES CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1 |w:5.4| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367515 ((6RS)-3-Anilino-N,N-dlisopropyl-4-oxo-2-(pyridin-4...) Show SMILES CC(C)N(C(C)C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:9.8| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367595 (US10227299, Example 285) Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(C)(C)O |w:14.30| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367597 (US10227299, Example 287) Show SMILES CC(C)(O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |w:4.3| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367327 ((6RS)—N-Ethyl-N-methyl-4-oxo-3-(phenylamino)-...) Show SMILES CCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367339 ((6RS)-6-(Hydroxymethyl)-6-methyl-3-(phenylamino)-2...) Show SMILES CC1(CO)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367346 ((6RS)-6-(Aminomethyl)-3-(phenylamino)-2-(pyridin-4...) Show SMILES NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:2.1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367360 ((4E/Z)-5-[(6RS)-Oxo-3-(phenylamino)-2-(pyridin-4-y...) Show SMILES OC(=O)CCC=CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6,5.4| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367388 ((6RS)-2-(3-Fluoropyridin-4-yl)-N-(2-hydroxyethyl)-...) Show SMILES CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |w:7.6| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367474 ((6RS)-2-[3-(2-Methoxyethoxy)pyridin-4-yl]-N,N-dime...) Show SMILES COCCOc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(=O)N(C)C |w:15.31| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367501 (N-4-[(6RS)-6-[(Ethylsulfanyl)methyl]-4-oxo-3-(phen...) Show SMILES CCSCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:4.3| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367502 (N-(4-(6RS)-Oxo-3-(phenylamino)-6-[(propan-2-ylsulf...) Show SMILES CC(C)SCC1=NC(NC(C)=O)=C(Nc2ccccc2)C(=O)C1c1cc2CCCCc2[nH]1 |t:5,11| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367508 ((6RS)-2-2-[(4-Fluorobenzoyl)amino]pyridin-4-yl-N-(...) Show SMILES CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1 |w:7.6| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367541 (N-4-[(6RS)-6-[(2-Methoxyethyl)sulfanyl]methyl-4-ox...) Show SMILES COCCSCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:6.5| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367543 (N-(4-(6RS)-Oxo-3-(phenylamino)-6-[(1,3-thiazol-2-y...) Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3nccs3)CC(=O)c2c1Nc1ccccc1 |w:14.15| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367551 (N-4-[(6RS)-6-[(Ethylsulfonyl)methyl]-4-oxo-3-(phen...) Show SMILES CCS(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:6.5| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367326 ((6RS)—N-(2-Hydroxyethyl)-N-methyl-4-oxo-3-(ph...) Show SMILES CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367342 ((6RS)-6-(Azidomethyl)-3-(phenylamino)-2-(pyridin-4...) Show SMILES CS(=O)(=O)OCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367359 (Methyl (6RS)-2-[2-(acetylamino)pyridin-4-yl]-4-oxo...) Show SMILES COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:4.3| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367468 (N-4-[(6RS)-6-(Aminomethyl)-4-oxo-3-(phenylamino)-4...) Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CN)CC(=O)c2c1Nc1ccccc1 |w:14.15| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367574 (N-{4-[(6RS)-3-Anilino-6-{[(2-methoxyethyl)sulfonyl...) Show SMILES COCCS(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:7.7| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367594 (US10227299, Example 284) Show SMILES CC(C)(O)[C@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367317 (Methyl (6RS)-4-oxo-3-(phenylamino)-2-(pyridin-4-yl...) Show SMILES COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367319 ((6RS)—N-Methyl-4-oxo-3-(phenylamino)-2-(pyrid...) Show SMILES CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:4.3| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367321 ((6RS)-4-Oxo-3-(phenylamino)-2-(pyridin-4-yl)-4,5,6...) Show SMILES NC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:3.2| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367323 (Methyl (6RS)-2-(3-fluoropyridin-4-yl)-4-oxo-3-(phe...) Show SMILES COC(=O)C1CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccncc1F |w:4.3,c:18| Show InChI InChI=1S/C21H20FN3O3S/c1-28-21(27)14-9-17(24-11-13-7-8-23-12-16(13)22)19(18(26)10-14)20(29)25-15-5-3-2-4-6-15/h2-8,12,14,24H,9-11H2,1H3,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM367333 ((6RS)—N-Methyl-4-oxo-3-(phenylamino)-N-propyl...) Show SMILES CCCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Pfizer					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 1377-84 (2008) BindingDB Entry DOI: 10.7270/Q2QN6931
					More data for this Ligand-Target Pair

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