Compile Data Set for Download or QSAR

Found 4172 hits with Last Name = 'chandra' and Initial = 'k'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 2 pre-incubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563613 (CHEMBL4781945) Show SMILES ClCc1cc(=O)oc2cc(OCc3cn(Cc4ccc(cc4)C#N)nn3)ccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 6 hrs at 24 degC by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563612 (CHEMBL4777500) Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(SC(=O)c4ccccc4)o3)ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 1 pre-incubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563594 (CHEMBL4746620) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4cccc(Br)c4)ccc23)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563607 (CHEMBL4793433) Show SMILES [O-][N+](=O)c1ccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563602 (CHEMBL4786964) Show SMILES Brc1ccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563613 (CHEMBL4781945) Show SMILES ClCc1cc(=O)oc2cc(OCc3cn(Cc4ccc(cc4)C#N)nn3)ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	624	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 6 hrs at 24 degC by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563606 (CHEMBL4783964) Show SMILES [O-][N+](=O)c1ccccc1COc1ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563609 (CHEMBL4751864) Show SMILES Cc1cc(C)cc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563605 (CHEMBL4800433) Show SMILES Fc1ccccc1COc1ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563603 (CHEMBL4760153) Show SMILES Brc1cccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563592 (CHEMBL4781169) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccccc4)ccc23)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563593 (CHEMBL4742237) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccc(Br)cc4)ccc23)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563605 (CHEMBL4800433) Show SMILES Fc1ccccc1COc1ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563606 (CHEMBL4783964) Show SMILES [O-][N+](=O)c1ccccc1COc1ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563611 (CHEMBL4796382) Show SMILES COc1ccc(CSc2nnc(COc3ccc4c(C)cc(=O)oc4c3)o2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563596 (CHEMBL4782287) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccccc4F)ccc23)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563599 (CHEMBL4745846) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4cccc(OC)c4)ccc23)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563598 (CHEMBL4750586) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccc(cc4)[N+]([O-])=O)ccc23)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563607 (CHEMBL4793433) Show SMILES [O-][N+](=O)c1ccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563593 (CHEMBL4742237) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccc(Br)cc4)ccc23)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563594 (CHEMBL4746620) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4cccc(Br)c4)ccc23)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563596 (CHEMBL4782287) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccccc4F)ccc23)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563602 (CHEMBL4786964) Show SMILES Brc1ccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563600 (CHEMBL4798303) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4cc(C)cc(C)c4)ccc23)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563603 (CHEMBL4760153) Show SMILES Brc1cccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563610 (CHEMBL4780710) Show SMILES Fc1ccc(F)c(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563600 (CHEMBL4798303) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4cc(C)cc(C)c4)ccc23)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563595 (CHEMBL4750666) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4cccc(Cl)c4)ccc23)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563604 (CHEMBL4744108) Show SMILES Clc1cccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563598 (CHEMBL4750586) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccc(cc4)[N+]([O-])=O)ccc23)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563608 (CHEMBL4741561) Show SMILES COc1cccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563601 (CHEMBL4784235) Show SMILES O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(OCc3ccccc3)cc2o1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563597 (CHEMBL4740913) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccccc4[N+]([O-])=O)ccc23)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563597 (CHEMBL4740913) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccccc4[N+]([O-])=O)ccc23)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563610 (CHEMBL4780710) Show SMILES Fc1ccc(F)c(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563592 (CHEMBL4781169) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccccc4)ccc23)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563608 (CHEMBL4741561) Show SMILES COc1cccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563604 (CHEMBL4744108) Show SMILES Clc1cccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563601 (CHEMBL4784235) Show SMILES O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(OCc3ccccc3)cc2o1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563609 (CHEMBL4751864) Show SMILES Cc1cc(C)cc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50563595 (CHEMBL4750666) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4cccc(Cl)c4)ccc23)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50563599 (CHEMBL4745846) Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4cccc(OC)c4)ccc23)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127877 BindingDB Entry DOI: 10.7270/Q29Z98MV
					More data for this Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A (Mycobacterium tuberculosis)	BDBM50331863 (6-(4-Hydroxy-benzyl)-9-(phenyl-phenylamino-methyl)...) Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@H](CNC(=O)CNC2=O)[C@@H](Nc2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H28N4O4/c32-21-13-11-18(12-14-21)15-23-27(35)29-17-24(33)28-16-22(26(34)31-23)25(19-7-3-1-4-8-19)30-20-9-5-2-6-10-20/h1-14,22-23,25,30,32H,15-17H2,(H,28,33)(H,29,35)(H,31,34)/t22-,23+,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase A by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 8365-73 (2010) Article DOI: 10.1016/j.bmc.2010.09.052 BindingDB Entry DOI: 10.7270/Q28S4Q5G
					More data for this Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A (Mycobacterium tuberculosis)	BDBM50345500 (6-oxo-1,2,9,10-tetradehydro-3,4,5,6-tetrahydro-5-b...) Show SMILES OC(=O)C1=C/C#Cc2ccccc2C#CCCNC\1=O |t:3| Show InChI InChI=1S/C16H11NO3/c18-15-14(16(19)20)10-5-9-13-7-2-1-6-12(13)8-3-4-11-17-15/h1-2,6-7,10H,4,11H2,(H,17,18)(H,19,20)/b14-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
India Institute of Technology Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis PTPA using p-nitrophenyl phosphate as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 19: 3274-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.024 BindingDB Entry DOI: 10.7270/Q2XP759N
					More data for this Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A (Mycobacterium tuberculosis)	BDBM50331859 (4,9-Dioxo-3-(phenyl-phenylamino-methyl)-[1,5]diazo...) Show SMILES OC(=O)[C@H]1CCC(=O)NC[C@H]([C@@H](Nc2ccccc2)c2ccccc2)C(=O)N1 |r| Show InChI InChI=1S/C21H23N3O4/c25-18-12-11-17(21(27)28)24-20(26)16(13-22-18)19(14-7-3-1-4-8-14)23-15-9-5-2-6-10-15/h1-10,16-17,19,23H,11-13H2,(H,22,25)(H,24,26)(H,27,28)/t16-,17-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase A by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 8365-73 (2010) Article DOI: 10.1016/j.bmc.2010.09.052 BindingDB Entry DOI: 10.7270/Q28S4Q5G
					More data for this Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A (Mycobacterium tuberculosis)	BDBM50331860 (9-(Phenyl-phenylamino-methyl)-[1,4,7]triazecane-2,...) Show SMILES O=C1CNC(=O)CNC(=O)[C@H](CN1)[C@@H](Nc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C20H22N4O3/c25-17-12-22-18(26)13-23-20(27)16(11-21-17)19(14-7-3-1-4-8-14)24-15-9-5-2-6-10-15/h1-10,16,19,24H,11-13H2,(H,21,25)(H,22,26)(H,23,27)/t16-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase A by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 8365-73 (2010) Article DOI: 10.1016/j.bmc.2010.09.052 BindingDB Entry DOI: 10.7270/Q28S4Q5G
					More data for this Ligand-Target Pair

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