BDBM13534 CHEMBL572878::N-[4-({4-[(3-methyl-1H-pyrazol-5-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide::N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide::VX-680::VX680::cyclopropane carboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2ylsulphanyl]-phenyl}-amide

SMILES: CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

InChI Key: InChIKey=GCIKSSRWRFVXBI-UHFFFAOYSA-N

Data: 54 KI  46 IC50  927 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 1026 hits for monomerid = 13534   

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
Tyrosine-protein kinase ABL1 [201-500] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 [201-500,Q252H] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Tyrosine-protein kinase ABL1 [201-500,Y253F] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [201-500,E255K] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [201-500,M351T] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [201-500,F359V] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Tyrosine-protein kinase ABL1 [201-500,H396P] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Tyrosine-protein kinase ABL1 [201-500,T315I] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Tyrosine-protein kinase ABL1 [201-500,T315N] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
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Mast/stem cell growth factor receptor Kit [N822K] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Mast/stem cell growth factor receptor Kit [V559D] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Mast/stem cell growth factor receptor Kit [V559D,T670I] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a
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Aurora kinase A (Mouse)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	22
TBA									Citation and Details
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Aurora kinase A (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	22
TBA									Citation and Details
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Aurora kinase B (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	22
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.0	22
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase B (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	8.5	22
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	6.30	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	4.10	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase B (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Aurora kinase C (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	6.30	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
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Tyrosine-protein kinase receptor UFO (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a
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Bone morphogenetic protein receptor type-2 (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	7.10E+3	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
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Cyclin-dependent kinase 11B (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	290	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
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Cyclin-dependent kinase 11A (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	260	n/a	n/a	n/a	7.4	25
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Macrophage colony-stimulating factor 1 receptor (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	7.4	25
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Epithelial discoidin domain-containing receptor 1 (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	28	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
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Discoidin domain-containing receptor 2 [A642S] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	230	n/a	n/a	n/a	7.4	25
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Ephrin type-A receptor 3 [1-975] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
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Ephrin type-B receptor 4 (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
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Vascular endothelial growth factor receptor 1 (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	100	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
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Receptor-type tyrosine-protein kinase FLT3 (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	6.5	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
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Receptor-type tyrosine-protein kinase FLT3 [D835H] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	14	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [D835Y] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	55	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	45	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
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Receptor-type tyrosine-protein kinase FLT3 [N841I] (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	4.30	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 3 (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
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Tyrosine-protein kinase FRK (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	3.80E+3	n/a	n/a	n/a	7.4	25
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P2Y purinoceptor 14 (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	290	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
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Mitogen-activated protein kinase kinase kinase kinase 1 (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a
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Mitogen-activated protein kinase kinase kinase kinase 5 (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase Mer (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a
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Hepatocyte growth factor receptor (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase 4 (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase 3 (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a
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Muscle, skeletal receptor tyrosine-protein kinase (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
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Platelet-derived growth factor receptor alpha (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
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Platelet-derived growth factor receptor beta (Human)	BDBM13534 (VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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