Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'maier' and Initial = 'r'   

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 2 (Homo sapiens (Human))	BDBM50615937 (CHEMBL5284282) Show SMILES CC(C)C[C@@H](C(N)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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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	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50615941 (CHEMBL5290825) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50615937 (CHEMBL5284282) Show SMILES CC(C)C[C@@H](C(N)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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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	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50615934 (CHEMBL5266613) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50615943 (CHEMBL5282667) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50615938 (CHEMBL5281859) Show SMILES C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50615942 (CHEMBL5271039) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50615944 (CHEMBL5274201) Show SMILES NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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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		26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50615939 (CHEMBL5280346) Show SMILES N[C@@H](CCCCNC(=O)OCc1cn(CC(=O)NCCc2ccc(cc2)S(N)(=O)=O)nn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50236140 (4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...) Show SMILES NS(=O)(=O)c1ccc(cc1)C#C Show InChI InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50615940 (CHEMBL5275727) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCNC(=O)OCc1cn(CC(=O)NCCc2ccc(cc2)S(N)(=O)=O)nn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50615940 (CHEMBL5275727) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCNC(=O)OCc1cn(CC(=O)NCCc2ccc(cc2)S(N)(=O)=O)nn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50615941 (CHEMBL5290825) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50615939 (CHEMBL5280346) Show SMILES N[C@@H](CCCCNC(=O)OCc1cn(CC(=O)NCCc2ccc(cc2)S(N)(=O)=O)nn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50615934 (CHEMBL5266613) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50236140 (4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...) Show SMILES NS(=O)(=O)c1ccc(cc1)C#C Show InChI InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50615943 (CHEMBL5282667) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50615942 (CHEMBL5271039) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		244	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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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	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50615944 (CHEMBL5274201) Show SMILES NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		346	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50615938 (CHEMBL5281859) Show SMILES C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		358	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50615935 (CHEMBL5287147) Show SMILES NOCc1ccc(cc1)S(N)(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		471	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50615936 (CHEMBL5278617) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN=[N+]=[N-])cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		485	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50615935 (CHEMBL5287147) Show SMILES NOCc1ccc(cc1)S(N)(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		601	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50615935 (CHEMBL5287147) Show SMILES NOCc1ccc(cc1)S(N)(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		844	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50615941 (CHEMBL5290825) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		936	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50615936 (CHEMBL5278617) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN=[N+]=[N-])cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50615934 (CHEMBL5266613) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50615944 (CHEMBL5274201) Show SMILES NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50615943 (CHEMBL5282667) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50615942 (CHEMBL5271039) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50615944 (CHEMBL5274201) Show SMILES NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		5.10E+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 (Homo sapiens (Human))	BDBM50615935 (CHEMBL5287147) Show SMILES NOCc1ccc(cc1)S(N)(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		5.40E+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 (Homo sapiens (Human))	BDBM50615942 (CHEMBL5271039) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		9.60E+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 12 (Homo sapiens (Human))	BDBM50615943 (CHEMBL5282667) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.40E+4	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 (Homo sapiens (Human))	BDBM50615934 (CHEMBL5266613) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.57E+4	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 (Homo sapiens (Human))	BDBM50615941 (CHEMBL5290825) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\OCc1ccc(cc1)S(N)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.57E+4	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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM224600 (US10202383, Example 2(148) | US9321791, 2(148) | U...) Show SMILES CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(C\C=C\C)c2c1=O Show InChI InChI=1S/C26H33N7O5/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-17(27)14-31)30(3)26(37)33(24(22)36)15-19(34)18-10-6-7-11-20(18)38-16-21(35)28-2/h4-7,10-11,17H,8-9,12-16,27H2,1-3H3,(H,28,35)/b5-4+/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates....				US Patent US10202383 (2019) BindingDB Entry DOI: 10.7270/Q2P55QNN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50228394 ((R)-2-(2-(2-(8-(3-aminopiperidin-1-yl)-7-(but-2-yn...) Show SMILES CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O Show InChI InChI=1S/C26H31N7O5/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-17(27)14-31)30(3)26(37)33(24(22)36)15-19(34)18-10-6-7-11-20(18)38-16-21(35)28-2/h6-7,10-11,17H,8-9,12-16,27H2,1-3H3,(H,28,35)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.8	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates....				US Patent US9556175 (2017) BindingDB Entry DOI: 10.7270/Q2Z03B5T
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM224587 (US10202383, Example 2(80) | US9321791, 2(80) | US9...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ncc4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C24H26N8O2/c1-3-4-12-31-20-21(28-23(31)30-11-7-9-17(25)14-30)29(2)24(34)32(22(20)33)15-19-26-13-16-8-5-6-10-18(16)27-19/h5-6,8,10,13,17H,7,9,11-12,14-15,25H2,1-2H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates....				US Patent US10202383 (2019) BindingDB Entry DOI: 10.7270/Q2P55QNN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM224587 (US10202383, Example 2(80) | US9321791, 2(80) | US9...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ncc4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C24H26N8O2/c1-3-4-12-31-20-21(28-23(31)30-11-7-9-17(25)14-30)29(2)24(34)32(22(20)33)15-19-26-13-16-8-5-6-10-18(16)27-19/h5-6,8,10,13,17H,7,9,11-12,14-15,25H2,1-2H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.8	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...				US Patent US9321791 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WNR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM224601 (US10202383, Example 2(150) | US9321791, 2(150) | U...) Show SMILES CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@H](N)C3)n(C\C=C\C)c2c1=O Show InChI InChI=1S/C26H33N7O5/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-17(27)14-31)30(3)26(37)33(24(22)36)15-19(34)18-10-6-7-11-20(18)38-16-21(35)28-2/h4-7,10-11,17H,8-9,12-16,27H2,1-3H3,(H,28,35)/b5-4+/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.8	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates....				US Patent US9556175 (2017) BindingDB Entry DOI: 10.7270/Q2Z03B5T
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM224600 (US10202383, Example 2(148) | US9321791, 2(148) | U...) Show SMILES CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(C\C=C\C)c2c1=O Show InChI InChI=1S/C26H33N7O5/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-17(27)14-31)30(3)26(37)33(24(22)36)15-19(34)18-10-6-7-11-20(18)38-16-21(35)28-2/h4-7,10-11,17H,8-9,12-16,27H2,1-3H3,(H,28,35)/b5-4+/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.8	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates....				US Patent US9556175 (2017) BindingDB Entry DOI: 10.7270/Q2Z03B5T
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50228403 ((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.8	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates....				US Patent US9556175 (2017) BindingDB Entry DOI: 10.7270/Q2Z03B5T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM224594 (US10202383, Example 2(132) | US9321791, 2(132) | U...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ncc(C)c4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-18(27)15-31)30(3)26(35)33(24(22)34)16-21-20-11-7-6-10-19(20)17(2)14-28-21/h6-7,10-11,14,18H,8-9,12-13,15-16,27H2,1-3H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.8	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates....				US Patent US9556175 (2017) BindingDB Entry DOI: 10.7270/Q2Z03B5T
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50228394 ((R)-2-(2-(2-(8-(3-aminopiperidin-1-yl)-7-(but-2-yn...) Show SMILES CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O Show InChI InChI=1S/C26H31N7O5/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-17(27)14-31)30(3)26(37)33(24(22)36)15-19(34)18-10-6-7-11-20(18)38-16-21(35)28-2/h6-7,10-11,17H,8-9,12-16,27H2,1-3H3,(H,28,35)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.8	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...				US Patent US9321791 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WNR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM224594 (US10202383, Example 2(132) | US9321791, 2(132) | U...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ncc(C)c4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-18(27)15-31)30(3)26(35)33(24(22)34)16-21-20-11-7-6-10-19(20)17(2)14-28-21/h6-7,10-11,14,18H,8-9,12-13,15-16,27H2,1-3H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.8	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...				US Patent US9321791 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WNR
					More data for this Ligand-Target Pair

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