BDBM220124 US9271961, BMT 4-90

SMILES: COc1ccc(c(Nc2ccccc2C(O)=O)c1)N(=O)=O

InChI Key: InChIKey=WAXURAGLQIGKCE-UHFFFAOYSA-N

Data: 8 IC50

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 8 hits for monomerid = 220124   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aldo-keto reductase family 1 member C4 (AK1C4) (Homo sapiens (Human))	BDBM220124 (US9271961, BMT 4-90) Show SMILES COc1ccc(c(Nc2ccccc2C(O)=O)c1)N(=O)=O Show InChI InChI=1S/C14H12N2O5/c1-21-9-6-7-13(16(19)20)12(8-9)15-11-5-3-2-4-10(11)14(17)18/h2-8,15H,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of the University of Pennsylvania US Patent					Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...				US Patent US9271961 (2016) BindingDB Entry DOI: 10.7270/Q27W6B22
					More data for this Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human))	BDBM220124 (US9271961, BMT 4-90) Show SMILES COc1ccc(c(Nc2ccccc2C(O)=O)c1)N(=O)=O Show InChI InChI=1S/C14H12N2O5/c1-21-9-6-7-13(16(19)20)12(8-9)15-11-5-3-2-4-10(11)14(17)18/h2-8,15H,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of the University of Pennsylvania US Patent					Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...				US Patent US9271961 (2016) BindingDB Entry DOI: 10.7270/Q27W6B22
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM220124 (US9271961, BMT 4-90) Show SMILES COc1ccc(c(Nc2ccccc2C(O)=O)c1)N(=O)=O Show InChI InChI=1S/C14H12N2O5/c1-21-9-6-7-13(16(19)20)12(8-9)15-11-5-3-2-4-10(11)14(17)18/h2-8,15H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	5.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of the University of Pennsylvania US Patent					Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...				US Patent US9271961 (2016) BindingDB Entry DOI: 10.7270/Q27W6B22
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM220124 (US9271961, BMT 4-90) Show SMILES COc1ccc(c(Nc2ccccc2C(O)=O)c1)N(=O)=O Show InChI InChI=1S/C14H12N2O5/c1-21-9-6-7-13(16(19)20)12(8-9)15-11-5-3-2-4-10(11)14(17)18/h2-8,15H,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of the University of Pennsylvania US Patent					Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...				US Patent US9271961 (2016) BindingDB Entry DOI: 10.7270/Q27W6B22
					More data for this Ligand-Target Pair
Aldose reductase (AR) (Homo sapiens (Human))	BDBM220124 (US9271961, BMT 4-90) Show SMILES COc1ccc(c(Nc2ccccc2C(O)=O)c1)N(=O)=O Show InChI InChI=1S/C14H12N2O5/c1-21-9-6-7-13(16(19)20)12(8-9)15-11-5-3-2-4-10(11)14(17)18/h2-8,15H,1H3,(H,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	4.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of the University of Pennsylvania US Patent					Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...				US Patent US9271961 (2016) BindingDB Entry DOI: 10.7270/Q27W6B22
					More data for this Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human))	BDBM220124 (US9271961, BMT 4-90) Show SMILES COc1ccc(c(Nc2ccccc2C(O)=O)c1)N(=O)=O Show InChI InChI=1S/C14H12N2O5/c1-21-9-6-7-13(16(19)20)12(8-9)15-11-5-3-2-4-10(11)14(17)18/h2-8,15H,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	3.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of the University of Pennsylvania US Patent					Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...				US Patent US9271961 (2016) BindingDB Entry DOI: 10.7270/Q27W6B22
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM220124 (US9271961, BMT 4-90) Show SMILES COc1ccc(c(Nc2ccccc2C(O)=O)c1)N(=O)=O Show InChI InChI=1S/C14H12N2O5/c1-21-9-6-7-13(16(19)20)12(8-9)15-11-5-3-2-4-10(11)14(17)18/h2-8,15H,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of the University of Pennsylvania US Patent					Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...				US Patent US9271961 (2016) BindingDB Entry DOI: 10.7270/Q27W6B22
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM220124 (US9271961, BMT 4-90) Show SMILES COc1ccc(c(Nc2ccccc2C(O)=O)c1)N(=O)=O Show InChI InChI=1S/C14H12N2O5/c1-21-9-6-7-13(16(19)20)12(8-9)15-11-5-3-2-4-10(11)14(17)18/h2-8,15H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	6.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of the University of Pennsylvania US Patent					Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...				US Patent US9271961 (2016) BindingDB Entry DOI: 10.7270/Q27W6B22
					More data for this Ligand-Target Pair