BDBM50350790 BUPIVACAINE HYDROCHLORIDE::Bupivacaine::SAMPL3, G1

SMILES: CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C

InChI Key: InChIKey=LEBVLXFERQHONN-UHFFFAOYSA-N

Data: 10 IC50  1 EC50  1 ITC

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 11 hits for monomerid = 50350790   

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
Potassium channel subfamily K member 2 (Human)	BDBM50350790 (Bupivacaine | BUPIVACAINE HYDROCHLORIDE | SAMPL3, ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.13E+5	n/a	n/a	7.3	22
TBA									Citation and Details
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ATP-binding cassette sub-family C member 3 (Human)	BDBM50350790 (Bupivacaine | BUPIVACAINE HYDROCHLORIDE | SAMPL3, ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Bile salt export pump (Human)	BDBM50350790 (Bupivacaine | BUPIVACAINE HYDROCHLORIDE | SAMPL3, ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 2 (Human)	BDBM50350790 (Bupivacaine | BUPIVACAINE HYDROCHLORIDE | SAMPL3, ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 4 (Human)	BDBM50350790 (Bupivacaine | BUPIVACAINE HYDROCHLORIDE | SAMPL3, ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium channel subfamily K member 3 (Human)	BDBM50350790 (Bupivacaine | BUPIVACAINE HYDROCHLORIDE | SAMPL3, ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium channel subfamily K member 9 (Rat)	BDBM50350790 (Bupivacaine | BUPIVACAINE HYDROCHLORIDE | SAMPL3, ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium channel subfamily K member 3 (Rat)	BDBM50350790 (Bupivacaine | BUPIVACAINE HYDROCHLORIDE | SAMPL3, ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50350790 (Bupivacaine | BUPIVACAINE HYDROCHLORIDE | SAMPL3, ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50350790 (Bupivacaine | BUPIVACAINE HYDROCHLORIDE | SAMPL3, ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sodium channel protein type 1/2/3 subunit alpha (Human)	BDBM50350790 (Bupivacaine | BUPIVACAINE HYDROCHLORIDE | SAMPL3, ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50350790

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM197280	BDBM50350790				-5.85	n/a	n/a	4.26	7.40	24.9
TBA					Details of this binding reaction