BDBM50030448 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN::CHEMBL269732::TACROLIMUS

SMILES: CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC

InChI Key: InChIKey=QJJXYPPXXYFBGM-UHFFFAOYSA-N

Data: 5 KI  16 IC50  7 Kd  1 EC50

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 34 hits for monomerid = 50030448   

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
ATP-binding cassette sub-family C member 2 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A5 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
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Nuclear receptor subfamily 1 group I member 2 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase mTOR (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Protein phosphatase 3 catalytic subunit alpha (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) 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
Peptidyl-prolyl cis-trans isomerase FKBP1A (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) 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)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 3 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) 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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Solute carrier organic anion transporter family member 1B1 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Human)	BDBM50030448 (CHEMBL269732 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ...) Show SMILES Show InChI	GoogleScholar	UniChem		2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair