BDBM50277545 4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-ylamino)-2-methoxybenzoic acid::Alisertib::CHEMBL483158::MLN8237::US10092556, Example MLN8237::US9346787, MLN8237

SMILES: COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O

InChI Key: InChIKey=ZLHFILGSQDJULK-UHFFFAOYSA-N

Data: 3 KI  32 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 50277545   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aurora kinase B (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a	n/a
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Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
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Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
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Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase Lck (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Aurora kinase B (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase B (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Aurora kinase A (Mouse)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
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Gamma-aminobutyric acid receptor subunit alpha-1 (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Aurora kinase B (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
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Aurora kinase B/Inner centromere protein (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase B (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	90	n/a	n/a	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase B (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	90	n/a	n/a	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	30
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	30
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Ephrin type-A receptor 2 [596-900] (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Ephrin type-A receptor 2 [596-900] (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	502	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase B (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	397	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase B (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	396	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		0.136	-13.7	34.2	n/a	n/a	n/a	n/a	n/a	30
TBA									Citation and Details
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Aurora kinase A (Mouse)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Aurora kinase A/Targeting protein for Xklp2 [1-43] (Human)	BDBM50277545 (Alisertib | MLN8237 | CHEMBL483158 | 4-(9-chloro-7...) Show SMILES Show InChI	GoogleScholar	UniChem		1.86	-12.1	1.78E+3	n/a	n/a	n/a	n/a	n/a	30
TBA									Citation and Details
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