Compile Data Set for Download or QSAR

Found 246 hits with Last Name = 'kharkar' and Initial = 'ps'   

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))	BDBM50054653 (CHEMBL3323211) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H12ClN5O7S2/c14-11-6-5-10(7-12(11)19(21)22)28(25,26)18-17-13(20)16-8-1-3-9(4-2-8)27(15,23)24/h1-7,18H,(H2,15,23,24)(H2,16,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50054648 (CHEMBL3323207) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C13H13ClN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50054646 (CHEMBL3323209) Show SMILES Cc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H16N4O5S2/c1-10-2-6-13(7-3-10)25(22,23)18-17-14(19)16-11-4-8-12(9-5-11)24(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50054652 (CHEMBL3323212) Show SMILES COc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H16N4O6S2/c1-24-11-4-8-13(9-5-11)26(22,23)18-17-14(19)16-10-2-6-12(7-3-10)25(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50054650 (CHEMBL3323205) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C13H14N4O5S2/c14-23(19,20)11-8-6-10(7-9-11)15-13(18)16-17-24(21,22)12-4-2-1-3-5-12/h1-9,17H,(H2,14,19,20)(H2,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50054651 (CHEMBL3323213) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H17N5O6S2/c1-10(21)17-11-4-8-14(9-5-11)28(25,26)20-19-15(22)18-12-2-6-13(7-3-12)27(16,23)24/h2-9,20H,1H3,(H,17,21)(H2,16,23,24)(H2,18,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50054649 (CHEMBL3323206) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C13H13FN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50054658 (CHEMBL3323210) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H13N5O7S2/c14-26(22,23)11-5-1-9(2-6-11)15-13(19)16-17-27(24,25)12-7-3-10(4-8-12)18(20)21/h1-8,17H,(H2,14,22,23)(H2,15,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50054647 (CHEMBL3323208) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C13H13BrN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50273938 ((-)-(S)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3/t23-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.825	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 7806-19 (2008) Article DOI: 10.1021/jm8008629 BindingDB Entry DOI: 10.7270/Q22B8XWJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50273996 ((S)-N*6*-[2-(4-Biphenyl-4-yl-piperazin-1-yl)-ethyl...) Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C28H37N5S/c1-2-14-32(25-12-13-26-27(21-25)34-28(29)30-26)18-15-31-16-19-33(20-17-31)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-11,25H,2,12-21H2,1H3,(H2,29,30)/t25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.925	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 7806-19 (2008) Article DOI: 10.1021/jm8008629 BindingDB Entry DOI: 10.7270/Q22B8XWJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50273937 ((+)-(R)-7-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2ccc(O)cc2C1 |r| Show InChI InChI=1S/C25H35N3O/c1-2-12-27(24-10-8-21-9-11-25(29)20-22(21)19-24)16-13-26-14-17-28(18-15-26)23-6-4-3-5-7-23/h3-7,9,11,20,24,29H,2,8,10,12-19H2,1H3/t24-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 7806-19 (2008) Article DOI: 10.1021/jm8008629 BindingDB Entry DOI: 10.7270/Q22B8XWJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50054648 (CHEMBL3323207) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C13H13ClN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50054651 (CHEMBL3323213) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H17N5O6S2/c1-10(21)17-11-4-8-14(9-5-11)28(25,26)20-19-15(22)18-12-2-6-13(7-3-12)27(16,23)24/h2-9,20H,1H3,(H,17,21)(H2,16,23,24)(H2,18,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50054652 (CHEMBL3323212) Show SMILES COc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H16N4O6S2/c1-24-11-4-8-13(9-5-11)26(22,23)18-17-14(19)16-10-2-6-12(7-3-10)25(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50054647 (CHEMBL3323208) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C13H13BrN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50273994 ((S)-N6-(2-(4-phenylpiperazin-1-yl)ethyl)-N6-propyl...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C22H33N5S/c1-2-10-26(19-8-9-20-21(17-19)28-22(23)24-20)14-11-25-12-15-27(16-13-25)18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3,(H2,23,24)/t19-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 7806-19 (2008) Article DOI: 10.1021/jm8008629 BindingDB Entry DOI: 10.7270/Q22B8XWJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50054650 (CHEMBL3323205) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C13H14N4O5S2/c14-23(19,20)11-8-6-10(7-9-11)15-13(18)16-17-24(21,22)12-4-2-1-3-5-12/h1-9,17H,(H2,14,19,20)(H2,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50273418 ((+/-)-trans-4-(2-(4-Phenylpiperazin-1-yl)ethyl)-1,...) Show SMILES Oc1cccc2[C@@H]3CCCN(CCN4CCN(CC4)c4ccccc4)[C@H]3CCc12 |r| Show InChI InChI=1S/C25H33N3O/c29-25-10-4-8-21-22-9-5-13-28(24(22)12-11-23(21)25)19-16-26-14-17-27(18-15-26)20-6-2-1-3-7-20/h1-4,6-8,10,22,24,29H,5,9,11-19H2/t22-,24-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 7806-19 (2008) Article DOI: 10.1021/jm8008629 BindingDB Entry DOI: 10.7270/Q22B8XWJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50273418 ((+/-)-trans-4-(2-(4-Phenylpiperazin-1-yl)ethyl)-1,...) Show SMILES Oc1cccc2[C@@H]3CCCN(CCN4CCN(CC4)c4ccccc4)[C@H]3CCc12 |r| Show InChI InChI=1S/C25H33N3O/c29-25-10-4-8-21-22-9-5-13-28(24(22)12-11-23(21)25)19-16-26-14-17-27(18-15-26)20-6-2-1-3-7-20/h1-4,6-8,10,22,24,29H,5,9,11-19H2/t22-,24-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 7806-19 (2008) Article DOI: 10.1021/jm8008629 BindingDB Entry DOI: 10.7270/Q22B8XWJ
					More data for this Ligand-Target Pair
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	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50054658 (CHEMBL3323210) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H13N5O7S2/c14-26(22,23)11-5-1-9(2-6-11)15-13(19)16-17-27(24,25)12-7-3-10(4-8-12)18(20)21/h1-8,17H,(H2,14,22,23)(H2,15,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50054646 (CHEMBL3323209) Show SMILES Cc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H16N4O5S2/c1-10-2-6-13(7-3-10)25(22,23)18-17-14(19)16-11-4-8-12(9-5-11)24(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50020222 ((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...) Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 7806-19 (2008) Article DOI: 10.1021/jm8008629 BindingDB Entry DOI: 10.7270/Q22B8XWJ
					More data for this Ligand-Target Pair
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
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50054649 (CHEMBL3323206) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C13H13FN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50273939 ((R)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)am...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3/t23-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 7806-19 (2008) Article DOI: 10.1021/jm8008629 BindingDB Entry DOI: 10.7270/Q22B8XWJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50054658 (CHEMBL3323210) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H13N5O7S2/c14-26(22,23)11-5-1-9(2-6-11)15-13(19)16-17-27(24,25)12-7-3-10(4-8-12)18(20)21/h1-8,17H,(H2,14,22,23)(H2,15,16,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50054648 (CHEMBL3323207) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C13H13ClN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50273418 ((+/-)-trans-4-(2-(4-Phenylpiperazin-1-yl)ethyl)-1,...) Show SMILES Oc1cccc2[C@@H]3CCCN(CCN4CCN(CC4)c4ccccc4)[C@H]3CCc12 |r| Show InChI InChI=1S/C25H33N3O/c29-25-10-4-8-21-22-9-5-13-28(24(22)12-11-23(21)25)19-16-26-14-17-27(18-15-26)20-6-2-1-3-7-20/h1-4,6-8,10,22,24,29H,5,9,11-19H2/t22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from rat dopamine D2L receptor expressed in HEK293 cells				J Med Chem 51: 7806-19 (2008) Article DOI: 10.1021/jm8008629 BindingDB Entry DOI: 10.7270/Q22B8XWJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50273418 ((+/-)-trans-4-(2-(4-Phenylpiperazin-1-yl)ethyl)-1,...) Show SMILES Oc1cccc2[C@@H]3CCCN(CCN4CCN(CC4)c4ccccc4)[C@H]3CCc12 |r| Show InChI InChI=1S/C25H33N3O/c29-25-10-4-8-21-22-9-5-13-28(24(22)12-11-23(21)25)19-16-26-14-17-27(18-15-26)20-6-2-1-3-7-20/h1-4,6-8,10,22,24,29H,5,9,11-19H2/t22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from rat dopamine D2L receptor expressed in HEK293 cells				J Med Chem 51: 7806-19 (2008) Article DOI: 10.1021/jm8008629 BindingDB Entry DOI: 10.7270/Q22B8XWJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50054646 (CHEMBL3323209) Show SMILES Cc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H16N4O5S2/c1-10-2-6-13(7-3-10)25(22,23)18-17-14(19)16-11-4-8-12(9-5-11)24(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50054649 (CHEMBL3323206) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C13H13FN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
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
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50273938 ((-)-(S)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from rat dopamine D2L receptor expressed in HEK293 cells				J Med Chem 51: 7806-19 (2008) Article DOI: 10.1021/jm8008629 BindingDB Entry DOI: 10.7270/Q22B8XWJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50054647 (CHEMBL3323208) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C13H13BrN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50273936 ((S)-7-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)am...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@H]1CCc2ccc(O)cc2C1 |r| Show InChI InChI=1S/C25H35N3O/c1-2-12-27(24-10-8-21-9-11-25(29)20-22(21)19-24)16-13-26-14-17-28(18-15-26)23-6-4-3-5-7-23/h3-7,9,11,20,24,29H,2,8,10,12-19H2,1H3/t24-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 7806-19 (2008) Article DOI: 10.1021/jm8008629 BindingDB Entry DOI: 10.7270/Q22B8XWJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50054653 (CHEMBL3323211) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H12ClN5O7S2/c14-11-6-5-10(7-12(11)19(21)22)28(25,26)18-17-13(20)16-8-1-3-9(4-2-8)27(15,23)24/h1-7,18H,(H2,15,23,24)(H2,16,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50054648 (CHEMBL3323207) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C13H13ClN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50273937 ((+)-(R)-7-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2ccc(O)cc2C1 |r| Show InChI InChI=1S/C25H35N3O/c1-2-12-27(24-10-8-21-9-11-25(29)20-22(21)19-24)16-13-26-14-17-28(18-15-26)23-6-4-3-5-7-23/h3-7,9,11,20,24,29H,2,8,10,12-19H2,1H3/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from rat dopamine D2L receptor expressed in HEK293 cells				J Med Chem 51: 7806-19 (2008) Article DOI: 10.1021/jm8008629 BindingDB Entry DOI: 10.7270/Q22B8XWJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50054650 (CHEMBL3323205) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C13H14N4O5S2/c14-23(19,20)11-8-6-10(7-9-11)15-13(18)16-17-24(21,22)12-4-2-1-3-5-12/h1-9,17H,(H2,14,19,20)(H2,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50054651 (CHEMBL3323213) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H17N5O6S2/c1-10(21)17-11-4-8-14(9-5-11)28(25,26)20-19-15(22)18-12-2-6-13(7-3-12)27(16,23)24/h2-9,20H,1H3,(H,17,21)(H2,16,23,24)(H2,18,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50273995 ((R)-N6-(2-(4-phenylpiperazin-1-yl)ethyl)-N6-propyl...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C22H33N5S/c1-2-10-26(19-8-9-20-21(17-19)28-22(23)24-20)14-11-25-12-15-27(16-13-25)18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3,(H2,23,24)/t19-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 7806-19 (2008) Article DOI: 10.1021/jm8008629 BindingDB Entry DOI: 10.7270/Q22B8XWJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50054652 (CHEMBL3323212) Show SMILES COc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H16N4O6S2/c1-24-11-4-8-13(9-5-11)26(22,23)18-17-14(19)16-10-2-6-12(7-3-10)25(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50054646 (CHEMBL3323209) Show SMILES Cc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H16N4O5S2/c1-10-2-6-13(7-3-10)25(22,23)18-17-14(19)16-11-4-8-12(9-5-11)24(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50054647 (CHEMBL3323208) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C13H13BrN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50054658 (CHEMBL3323210) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H13N5O7S2/c14-26(22,23)11-5-1-9(2-6-11)15-13(19)16-17-27(24,25)12-7-3-10(4-8-12)18(20)21/h1-8,17H,(H2,14,22,23)(H2,15,16,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50054653 (CHEMBL3323211) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H12ClN5O7S2/c14-11-6-5-10(7-12(11)19(21)22)28(25,26)18-17-13(20)16-8-1-3-9(4-2-8)27(15,23)24/h1-7,18H,(H2,15,23,24)(H2,16,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50054653 (CHEMBL3323211) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H12ClN5O7S2/c14-11-6-5-10(7-12(11)19(21)22)28(25,26)18-17-13(20)16-8-1-3-9(4-2-8)27(15,23)24/h1-7,18H,(H2,15,23,24)(H2,16,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50273993 ((4aS,10bS)-4-(2-(4-phenylpiperazin-1-yl)ethyl)-1,2...) Show SMILES Oc1ccc2CC[C@H]3[C@@H](CCCN3CCN3CCN(CC3)c3ccccc3)c2c1 |r| Show InChI InChI=1S/C25H33N3O/c29-22-10-8-20-9-11-25-23(24(20)19-22)7-4-12-28(25)18-15-26-13-16-27(17-14-26)21-5-2-1-3-6-21/h1-3,5-6,8,10,19,23,25,29H,4,7,9,11-18H2/t23-,25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 7806-19 (2008) Article DOI: 10.1021/jm8008629 BindingDB Entry DOI: 10.7270/Q22B8XWJ
					More data for this Ligand-Target Pair

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