BDBM26187 α-CA inhibitor, 11::CHEMBL14060::US9688816, 2::phenol

SMILES: c1ccc(cc1)O

InChI Key: InChIKey=ISWSIDIOOBJBQZ-UHFFFAOYSA-N

Data: 97 KI  3 IC50  4 Kd  2 EC50  2 ITC

PDB links: 107 PDB IDs match this monomer.

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 106 hits for monomerid = 26187   

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
Estrogen receptor (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor beta (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Bovine)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.63E+3	n/a	n/a	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endolysin (Enterobacteria phage T4)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endolysin (Enterobacteria phage T4)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endolysin (Enterobacteria phage T4)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endolysin [L99A,M102Q] (Enterobacteria phage T4)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	9.09E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.00E+8	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		2.70E+3	-7.59	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		2.70E+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
Carbonic anhydrase 3 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		2.70E+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
Carbonic anhydrase 3 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		2.70E+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
Carbonic anhydrase 3 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		2.70E+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
Carbonic anhydrase 3 (Bovine)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Bovine)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		4.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		5.50E+3	-7.17	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		5.50E+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
Carbonic anhydrase 2 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		5.50E+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
Carbonic anhydrase 2 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		5.50E+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
Carbonic anhydrase 2 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		5.50E+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
Carbonic anhydrase 2 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		5.50E+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
Carbonic anhydrase 2 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		5.50E+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
Carbonic anhydrase 2 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		5.50E+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
Carbonic anhydrase 2 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		5.50E+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
Carbonic anhydrase 2 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		5.50E+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
Carbonic anhydrase 2 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		5.50E+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
Carbonic anhydrase 2 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		5.50E+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
Carbonic anhydrase 2 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		5.60E+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
Carbonic anhydrase 2 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		8.80E+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
Carbonic anhydrase 9 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		8.80E+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
Carbonic anhydrase 9 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		8.80E+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
Carbonic anhydrase 9 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		8.80E+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
Carbonic anhydrase 9 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		8.80E+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
Carbonic anhydrase 9 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		8.80E+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
Carbonic anhydrase 9 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		8.80E+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
Carbonic anhydrase 9 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		8.80E+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
Carbonic anhydrase 9 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		8.80E+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
Carbonic anhydrase 12 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		9.20E+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
Carbonic anhydrase 12 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		9.20E+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
Carbonic anhydrase 12 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		9.20E+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
Carbonic anhydrase 12 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		9.20E+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
Carbonic anhydrase 12 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		9.20E+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
Carbonic anhydrase 12 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		9.20E+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
Carbonic anhydrase 12 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		9.20E+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
Carbonic anhydrase 12 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		9.20E+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
Carbonic anhydrase 4 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		9.50E+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
Carbonic anhydrase 4 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		9.50E+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
Carbonic anhydrase 4 (Human)	BDBM26187 (CHEMBL14060 | phenol | US9688816, 2 | α-CA in...) Show SMILES Show InChI	GoogleScholar	UniChem		9.50E+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

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 26187

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
BDBM36284	BDBM26187				-5.93	n/a	n/a	4.34	7	25
TBA					Details of this binding reaction
BDBM36284	BDBM26187				-5.71	5.50	-11.2	4.18	7	25
TBA					Details of this binding reaction