BindingDB PrimarySearch

BDBM21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA::US20230364057, Compound 76

SMILES: CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3NCc4cccc(c4)I)Cl)O)O

InChI Key: InChIKey=IPSYPUKKXMNCNQ-UHFFFAOYSA-N

Data: 107 KI 2 IC50 10 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 119 hits for monomerid = 21221
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
DNA gyrase inhibitor (Escherichia coli (strain K12))	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	n/a	n/a	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	n/a	n/a	n/a	n/a	4.10	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor gamma (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	n/a	n/a	n/a	n/a	2.94E+3	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor delta (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	n/a	n/a	n/a	n/a	191	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor delta (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	n/a	n/a	n/a	n/a	2.98E+4	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
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Broad substrate specificity ATP-binding cassette transporter ABCG2 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	n/a	n/a	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Mouse)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	n/a	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Mouse)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	n/a	n/a	n/a	n/a	0.460	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Mouse)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Rat)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Rat)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Rat)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Rat)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Rat)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Rat)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor delta (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	0.637	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Rat)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Rat)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor gamma (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM21221 (2-Cl-IB-MECA \| CHEMBL431733 \| C-IBzA-MU \| 2-chloro...) Show SMILES Show InChI	GoogleScholar	UniChem	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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