Compile Data Set for Download or QSAR

Found 816 hits with Last Name = 'kim' and Initial = 'dk'   

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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015639 (CHEMBL3260567 | USRE47141, Example 2) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1 Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Competitive inhibition of ALK5 (unknown origin) assessed as enzyme/ATP complex by Michaelis-Menten plot analysis in presence of ATP				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015639 (CHEMBL3260567 | USRE47141, Example 2) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1 Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Competitive inhibition of ALK5 (unknown origin) by Michaelis-Menten plot analysis in presence of ATP				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50559204 (CHEMBL4753756) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(N[C@H]3CC[C@@H](CC3)Nc3ncnc4cc(OC)c(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc34)ncnc2cc1OC)C(C)(C)C |r,wU:43.44,50.60,2.2,26.30,wD:54.57,14.15,7.78,23.23,(29.4,-55.7,;28.95,-57.18,;27.45,-57.52,;27,-58.99,;26.4,-56.39,;26.85,-54.92,;24.9,-56.74,;23.85,-55.61,;22.35,-55.95,;21.83,-57.4,;21.36,-54.78,;21.73,-53.28,;20.42,-52.47,;19.25,-53.46,;19.83,-54.89,;19.01,-56.19,;19.74,-57.55,;17.47,-56.14,;16.66,-57.45,;15.12,-57.4,;14.31,-58.7,;12.77,-58.64,;11.86,-57.4,;10.32,-57.57,;9.41,-56.32,;7.88,-56.49,;7.27,-57.89,;8.17,-59.14,;9.7,-58.98,;5.73,-58.06,;4.82,-56.81,;3.29,-56.94,;2.41,-55.66,;3.08,-54.27,;4.62,-54.15,;5.28,-52.77,;6.81,-52.65,;7.47,-51.26,;6.6,-49.99,;7.68,-53.93,;9.22,-53.81,;9.89,-52.42,;9.02,-51.15,;11.42,-52.31,;12.42,-53.48,;13.84,-52.89,;13.73,-51.35,;12.23,-50.99,;11.64,-49.57,;10.11,-49.36,;12.58,-48.35,;11.99,-46.92,;12.93,-45.7,;14.46,-45.91,;12.34,-44.28,;10.82,-44.08,;13.28,-43.06,;14.81,-43.26,;14.11,-48.55,;14.4,-47.03,;15.57,-48.05,;14.69,-49.97,;7.01,-55.31,;5.48,-55.43,;11.95,-59.94,;12.67,-61.31,;14.21,-61.37,;15.02,-60.06,;16.56,-60.12,;17.39,-58.82,;18.92,-58.87,;19.65,-60.23,;24.3,-54.13,;25.25,-52.91,;25.84,-54.34,;23.25,-53.01,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human XIAP-BIR3 (241 to 356 residues)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127676 BindingDB Entry DOI: 10.7270/Q2NV9NXH
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50206509 (4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	4.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT1-expressing S2 cells				Life Sci 69: 2123-35 (2001) Article DOI: 10.1016/s0024-3205(01)01296-6 BindingDB Entry DOI: 10.7270/Q2XD14JB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier family 22 member 8 (Homo sapiens (Human))	BDBM50206509 (4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	4.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT3-expressing S2 cells				Life Sci 69: 2123-35 (2001) Article DOI: 10.1016/s0024-3205(01)01296-6 BindingDB Entry DOI: 10.7270/Q2XD14JB
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Homo sapiens (Human))	BDBM85245 (CAS_36322-90-4 | NSC_4856 | Piroxicam) Show SMILES CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O |t:12| Show InChI InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	4.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT3-expressing S2 cells				Life Sci 69: 2123-35 (2001) Article DOI: 10.1016/s0024-3205(01)01296-6 BindingDB Entry DOI: 10.7270/Q2XD14JB
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50485608 (CHEBI:28837 | Caprylic acid | EDENOR C 8-98-100 | ...) Show SMILES CCCCCCCC(O)=O Show InChI InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	5.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT1-expressing S2 cells				Life Sci 69: 2123-35 (2001) Article DOI: 10.1016/s0024-3205(01)01296-6 BindingDB Entry DOI: 10.7270/Q2XD14JB
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50240008 (Aminohippuric Acid | CHEBI:104011 | PAHA | Para-Am...) Show SMILES Nc1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT1-expressing S2 cells				Life Sci 69: 2123-35 (2001) Article DOI: 10.1016/s0024-3205(01)01296-6 BindingDB Entry DOI: 10.7270/Q2XD14JB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier family 22 member 8 (Homo sapiens (Human))	BDBM50485608 (CHEBI:28837 | Caprylic acid | EDENOR C 8-98-100 | ...) Show SMILES CCCCCCCC(O)=O Show InChI InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT3-expressing S2 cells				Life Sci 69: 2123-35 (2001) Article DOI: 10.1016/s0024-3205(01)01296-6 BindingDB Entry DOI: 10.7270/Q2XD14JB
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Homo sapiens (Human))	BDBM50344961 (CHEMBL510139 | citrinin) Show SMILES C[C@H]1OC=C2C(=O)C(C(O)=O)C(=O)C(C)=C2[C@@H]1C |r,c:14,t:3| Show InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,10H,1-3H3,(H,16,17)/t5-,7-,10?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT3-expressing S2 cells				Life Sci 69: 2123-35 (2001) Article DOI: 10.1016/s0024-3205(01)01296-6 BindingDB Entry DOI: 10.7270/Q2XD14JB
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Homo sapiens (Human))	BDBM50240008 (Aminohippuric Acid | CHEBI:104011 | PAHA | Para-Am...) Show SMILES Nc1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT3-expressing S2 cells				Life Sci 69: 2123-35 (2001) Article DOI: 10.1016/s0024-3205(01)01296-6 BindingDB Entry DOI: 10.7270/Q2XD14JB
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM85245 (CAS_36322-90-4 | NSC_4856 | Piroxicam) Show SMILES CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O |t:12| Show InChI InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT1-expressing S2 cells				Life Sci 69: 2123-35 (2001) Article DOI: 10.1016/s0024-3205(01)01296-6 BindingDB Entry DOI: 10.7270/Q2XD14JB
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Rattus norvegicus)	BDBM82898 ((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...) Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O |t:5| Show InChI InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells				Life Sci 70: 1861-74 (2002) Article DOI: 10.1016/s0024-3205(02)01500-x BindingDB Entry DOI: 10.7270/Q2SN0CV2
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Rattus norvegicus)	BDBM50390999 (CEFOPERAZONE) Show SMILES CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(CSc4nnnn4C)=C(N3C2=O)C(O)=O)c2ccc(O)cc2)C(=O)C1=O |c:26| Show InChI InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	4.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells				Life Sci 70: 1861-74 (2002) Article DOI: 10.1016/s0024-3205(02)01500-x BindingDB Entry DOI: 10.7270/Q2SN0CV2
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Rattus norvegicus)	BDBM82898 ((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...) Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O |t:5| Show InChI InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	5.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells				Life Sci 70: 1861-74 (2002) Article DOI: 10.1016/s0024-3205(02)01500-x BindingDB Entry DOI: 10.7270/Q2SN0CV2
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Rattus norvegicus)	BDBM50370587 (CEFAZOLIN) Show SMILES Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn2cnnn2)C3=O)C(O)=O)s1 |r,t:7| Show InChI InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	5.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells				Life Sci 70: 1861-74 (2002) Article DOI: 10.1016/s0024-3205(02)01500-x BindingDB Entry DOI: 10.7270/Q2SN0CV2
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Rattus norvegicus)	BDBM50390999 (CEFOPERAZONE) Show SMILES CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(CSc4nnnn4C)=C(N3C2=O)C(O)=O)c2ccc(O)cc2)C(=O)C1=O |c:26| Show InChI InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	6.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells				Life Sci 70: 1861-74 (2002) Article DOI: 10.1016/s0024-3205(02)01500-x BindingDB Entry DOI: 10.7270/Q2SN0CV2
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Rattus norvegicus)	BDBM50370587 (CEFAZOLIN) Show SMILES Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn2cnnn2)C3=O)C(O)=O)s1 |r,t:7| Show InChI InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	7.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells				Life Sci 70: 1861-74 (2002) Article DOI: 10.1016/s0024-3205(02)01500-x BindingDB Entry DOI: 10.7270/Q2SN0CV2
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Rattus norvegicus)	BDBM50103624 (40602 | CHEBI:3537 | Cefaloridine | Cephaloridine ...) Show SMILES [H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)Cc1cccs1)C([O-])=O |r,c:12| Show InChI InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.14E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells				Life Sci 70: 1861-74 (2002) Article DOI: 10.1016/s0024-3205(02)01500-x BindingDB Entry DOI: 10.7270/Q2SN0CV2
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Rattus norvegicus)	BDBM50103624 (40602 | CHEBI:3537 | Cefaloridine | Cephaloridine ...) Show SMILES [H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)Cc1cccs1)C([O-])=O |r,c:12| Show InChI InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.32E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells				Life Sci 70: 1861-74 (2002) Article DOI: 10.1016/s0024-3205(02)01500-x BindingDB Entry DOI: 10.7270/Q2SN0CV2
					More data for this Ligand-Target Pair
Monocarboxylate transporter 10 (Rattus norvegicus)	BDBM50043821 ((S)-2-Acetylamino-3-(1H-indol-3-yl)-propionic acid...) Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of L-tryptophan uptake in Xenopus laevis oocytes				J Biol Chem 276: 17221-8 (2001) Article DOI: 10.1074/jbc.M009462200 BindingDB Entry DOI: 10.7270/Q26D5V8F
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50344961 (CHEMBL510139 | citrinin) Show SMILES C[C@H]1OC=C2C(=O)C(C(O)=O)C(=O)C(C)=C2[C@@H]1C |r,c:14,t:3| Show InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,10H,1-3H3,(H,16,17)/t5-,7-,10?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.08E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT1-expressing S2 cells				Life Sci 69: 2123-35 (2001) Article DOI: 10.1016/s0024-3205(01)01296-6 BindingDB Entry DOI: 10.7270/Q2XD14JB
					More data for this Ligand-Target Pair
Monocarboxylate transporter 10 (Rattus norvegicus)	BDBM92690 (L-Abrine, 12) Show SMILES [O-]C(=O)C(Cc1c[nH]c2ccccc12)[NH+]=C Show InChI InChI=1S/C12H12N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,1,6H2,(H,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of L-tryptophan uptake in Xenopus laevis oocytes				J Biol Chem 276: 17221-8 (2001) Article DOI: 10.1074/jbc.M009462200 BindingDB Entry DOI: 10.7270/Q26D5V8F
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027770 (CHEMBL245388) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CCC(O)=O)CC1 Show InChI InChI=1S/C26H35N5O6S/c1-4-6-20-23-24(30(3)29-20)26(34)28-25(27-23)19-16-18(8-9-21(19)37-15-5-2)38(35,36)31-13-11-17(12-14-31)7-10-22(32)33/h8-9,16-17H,4-7,10-15H2,1-3H3,(H,32,33)(H,27,28,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027767 (CHEMBL246988) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C25H33N5O6S/c1-4-6-19-22-23(29(3)28-19)25(33)27-24(26-22)18-15-17(7-8-20(18)36-13-5-2)37(34,35)30-11-9-16(10-12-30)14-21(31)32/h7-8,15-16H,4-6,9-14H2,1-3H3,(H,31,32)(H,26,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027766 (CHEMBL391333) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCC(CCC(O)=O)CC1 Show InChI InChI=1S/C25H33N5O6S/c1-4-6-19-22-23(29(3)28-19)25(33)27-24(26-22)18-15-17(8-9-20(18)36-5-2)37(34,35)30-13-11-16(12-14-30)7-10-21(31)32/h8-9,15-16H,4-7,10-14H2,1-3H3,(H,31,32)(H,26,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.151	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027728 (CHEMBL394886) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C24H31N5O6S/c1-4-6-18-20-21(28(3)27-18)23(30)26-22(25-20)17-14-16(7-8-19(17)35-13-5-2)36(33,34)29-11-9-15(10-12-29)24(31)32/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,31,32)(H,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.151	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241303 (CHEMBL245317 | ethyl hydrogen (1-(3-(1-methyl-7-ox...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(O)(=O)OCC)CC1 Show InChI InChI=1S/C26H38N5O7PS/c1-5-8-21-23-24(30(4)29-21)26(32)28-25(27-23)20-16-19(9-10-22(20)37-15-6-2)40(35,36)31-13-11-18(12-14-31)17-39(33,34)38-7-3/h9-10,16,18H,5-8,11-15,17H2,1-4H3,(H,33,34)(H,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241303 (CHEMBL245317 | ethyl hydrogen (1-(3-(1-methyl-7-ox...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(O)(=O)OCC)CC1 Show InChI InChI=1S/C26H38N5O7PS/c1-5-8-21-23-24(30(4)29-21)26(32)28-25(27-23)20-16-19(9-10-22(20)37-15-6-2)40(35,36)31-13-11-18(12-14-31)17-39(33,34)38-7-3/h9-10,16,18H,5-8,11-15,17H2,1-4H3,(H,33,34)(H,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 5 of rabbit platelets				Bioorg Med Chem Lett 14: 2099-103 (2004) Article DOI: 10.1016/j.bmcl.2004.02.040 BindingDB Entry DOI: 10.7270/Q290237J
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241300 (CHEMBL245517 | ethyl hydrogen (4-(3-(1-methyl-7-ox...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CP(O)(=O)OCC)CC1 Show InChI InChI=1S/C25H37N6O7PS/c1-5-8-20-22-23(29(4)28-20)25(32)27-24(26-22)19-16-18(9-10-21(19)37-15-6-2)40(35,36)31-13-11-30(12-14-31)17-39(33,34)38-7-3/h9-10,16H,5-8,11-15,17H2,1-4H3,(H,33,34)(H,26,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 5 of rabbit platelets				Bioorg Med Chem Lett 14: 2099-103 (2004) Article DOI: 10.1016/j.bmcl.2004.02.040 BindingDB Entry DOI: 10.7270/Q290237J
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241300 (CHEMBL245517 | ethyl hydrogen (4-(3-(1-methyl-7-ox...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CP(O)(=O)OCC)CC1 Show InChI InChI=1S/C25H37N6O7PS/c1-5-8-20-22-23(29(4)28-20)25(32)27-24(26-22)19-16-18(9-10-21(19)37-15-6-2)40(35,36)31-13-11-30(12-14-31)17-39(33,34)38-7-3/h9-10,16H,5-8,11-15,17H2,1-4H3,(H,33,34)(H,26,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.182	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027773 (CHEMBL264319) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCC(CCCC(O)=O)CC1 Show InChI InChI=1S/C26H35N5O6S/c1-4-7-20-23-24(30(3)29-20)26(34)28-25(27-23)19-16-18(10-11-21(19)37-5-2)38(35,36)31-14-12-17(13-15-31)8-6-9-22(32)33/h10-11,16-17H,4-9,12-15H2,1-3H3,(H,32,33)(H,27,28,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.219	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027771 (CHEMBL246329) Show SMILES CCCOc1ccc(NC(=O)CCC)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C22H29N5O3/c1-5-8-16-19-20(27(4)26-16)22(29)25-21(24-19)15-13-14(23-18(28)9-6-2)10-11-17(15)30-12-7-3/h10-11,13H,5-9,12H2,1-4H3,(H,23,28)(H,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.269	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241301 ((2-{4-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-p...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCP(O)(=O)OCC)CC1 Show InChI InChI=1S/C26H39N6O7PS/c1-5-8-21-23-24(30(4)29-21)26(33)28-25(27-23)20-18-19(9-10-22(20)38-16-6-2)41(36,37)32-13-11-31(12-14-32)15-17-40(34,35)39-7-3/h9-10,18H,5-8,11-17H2,1-4H3,(H,34,35)(H,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 5 of rabbit platelets				Bioorg Med Chem Lett 14: 2099-103 (2004) Article DOI: 10.1016/j.bmcl.2004.02.040 BindingDB Entry DOI: 10.7270/Q290237J
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50144215 (CHEMBL63548 | {4-[3-(1-Methyl-7-oxo-3-propyl-6,7-d...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CP(O)(O)=O)CC1 Show InChI InChI=1S/C23H33N6O7PS/c1-4-6-18-20-21(27(3)26-18)23(30)25-22(24-20)17-14-16(7-8-19(17)36-13-5-2)38(34,35)29-11-9-28(10-12-29)15-37(31,32)33/h7-8,14H,4-6,9-13,15H2,1-3H3,(H,24,25,30)(H2,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 5 of rabbit platelets				Bioorg Med Chem Lett 14: 2099-103 (2004) Article DOI: 10.1016/j.bmcl.2004.02.040 BindingDB Entry DOI: 10.7270/Q290237J
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241301 ((2-{4-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-p...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCP(O)(=O)OCC)CC1 Show InChI InChI=1S/C26H39N6O7PS/c1-5-8-21-23-24(30(4)29-21)26(33)28-25(27-23)20-18-19(9-10-22(20)38-16-6-2)41(36,37)32-13-11-31(12-14-32)15-17-40(34,35)39-7-3/h9-10,18H,5-8,11-17H2,1-4H3,(H,34,35)(H,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.282	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50144213 ((2-{1-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-p...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CCP(O)(=O)OCC)CC1 Show InChI InChI=1S/C27H40N5O7PS/c1-5-8-22-24-25(31(4)30-22)27(33)29-26(28-24)21-18-20(9-10-23(21)38-16-6-2)41(36,37)32-14-11-19(12-15-32)13-17-40(34,35)39-7-3/h9-10,18-19H,5-8,11-17H2,1-4H3,(H,34,35)(H,28,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 5 of rabbit platelets				Bioorg Med Chem Lett 14: 2099-103 (2004) Article DOI: 10.1016/j.bmcl.2004.02.040 BindingDB Entry DOI: 10.7270/Q290237J
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241302 (CHEMBL245315 | ethyl hydrogen 1-(3-(1-methyl-7-oxo...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CC1)P(O)(=O)OCC Show InChI InChI=1S/C25H36N5O7PS/c1-5-8-20-22-23(29(4)28-20)25(31)27-24(26-22)19-16-18(9-10-21(19)36-15-6-2)39(34,35)30-13-11-17(12-14-30)38(32,33)37-7-3/h9-10,16-17H,5-8,11-15H2,1-4H3,(H,32,33)(H,26,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 5 of rabbit platelets				Bioorg Med Chem Lett 14: 2099-103 (2004) Article DOI: 10.1016/j.bmcl.2004.02.040 BindingDB Entry DOI: 10.7270/Q290237J
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241302 (CHEMBL245315 | ethyl hydrogen 1-(3-(1-methyl-7-oxo...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CC1)P(O)(=O)OCC Show InChI InChI=1S/C25H36N5O7PS/c1-5-8-20-22-23(29(4)28-20)25(31)27-24(26-22)19-16-18(9-10-21(19)36-15-6-2)39(34,35)30-13-11-17(12-14-30)38(32,33)37-7-3/h9-10,16-17H,5-8,11-15H2,1-4H3,(H,32,33)(H,26,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.302	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241310 ((1-(3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyra...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(O)(O)=O)CC1 Show InChI InChI=1S/C24H34N5O7PS/c1-4-6-19-21-22(28(3)27-19)24(30)26-23(25-21)18-14-17(7-8-20(18)36-13-5-2)38(34,35)29-11-9-16(10-12-29)15-37(31,32)33/h7-8,14,16H,4-6,9-13,15H2,1-3H3,(H,25,26,30)(H2,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 5 of rabbit platelets				Bioorg Med Chem Lett 14: 2099-103 (2004) Article DOI: 10.1016/j.bmcl.2004.02.040 BindingDB Entry DOI: 10.7270/Q290237J
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241310 ((1-(3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyra...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(O)(O)=O)CC1 Show InChI InChI=1S/C24H34N5O7PS/c1-4-6-19-21-22(28(3)27-19)24(30)26-23(25-21)18-14-17(7-8-20(18)36-13-5-2)38(34,35)29-11-9-16(10-12-29)15-37(31,32)33/h7-8,14,16H,4-6,9-13,15H2,1-3H3,(H,25,26,30)(H2,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.324	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027734 (CHEMBL246136) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C24H31N5O6S/c1-4-6-18-21-22(28(3)27-18)24(32)26-23(25-21)17-14-16(7-8-19(17)35-5-2)36(33,34)29-11-9-15(10-12-29)13-20(30)31/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,30,31)(H,25,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.331	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241307 (CHEMBL394040 | diethyl (1-(3-(1-methyl-7-oxo-3-pro...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(=O)(OCC)OCC)CC1 Show InChI InChI=1S/C28H42N5O7PS/c1-6-10-23-25-26(32(5)31-23)28(34)30-27(29-25)22-18-21(11-12-24(22)38-17-7-2)42(36,37)33-15-13-20(14-16-33)19-41(35,39-8-3)40-9-4/h11-12,18,20H,6-10,13-17,19H2,1-5H3,(H,29,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.339	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241307 (CHEMBL394040 | diethyl (1-(3-(1-methyl-7-oxo-3-pro...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(=O)(OCC)OCC)CC1 Show InChI InChI=1S/C28H42N5O7PS/c1-6-10-23-25-26(32(5)31-23)28(34)30-27(29-25)22-18-21(11-12-24(22)38-17-7-2)42(36,37)33-15-13-20(14-16-33)19-41(35,39-8-3)40-9-4/h11-12,18,20H,6-10,13-17,19H2,1-5H3,(H,29,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 5 of rabbit platelets				Bioorg Med Chem Lett 14: 2099-103 (2004) Article DOI: 10.1016/j.bmcl.2004.02.040 BindingDB Entry DOI: 10.7270/Q290237J
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027727 (CHEMBL246743) Show SMILES CCCOc1ccc(NC(=O)C(C)C)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C22H29N5O3/c1-6-8-16-18-19(27(5)26-16)22(29)25-20(24-18)15-12-14(23-21(28)13(3)4)9-10-17(15)30-11-7-2/h9-10,12-13H,6-8,11H2,1-5H3,(H,23,28)(H,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.347	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027768 (CHEMBL392182) Show SMILES CCCOc1ccc(NC(=O)CC)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C21H27N5O3/c1-5-8-15-18-19(26(4)25-15)21(28)24-20(23-18)14-12-13(22-17(27)7-3)9-10-16(14)29-11-6-2/h9-10,12H,5-8,11H2,1-4H3,(H,22,27)(H,23,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027774 (CHEMBL246337) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCC(O)=O)CC1 Show InChI InChI=1S/C24H32N6O6S/c1-4-6-18-21-22(28(3)27-18)24(33)26-23(25-21)17-15-16(7-8-19(17)36-5-2)37(34,35)30-13-11-29(12-14-30)10-9-20(31)32/h7-8,15H,4-6,9-14H2,1-3H3,(H,31,32)(H,25,26,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.407	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241306 (CHEMBL245522 | diethyl 1-(3-(1-methyl-7-oxo-3-prop...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CC1)P(=O)(OCC)OCC Show InChI InChI=1S/C27H40N5O7PS/c1-6-10-22-24-25(31(5)30-22)27(33)29-26(28-24)21-18-20(11-12-23(21)37-17-7-2)41(35,36)32-15-13-19(14-16-32)40(34,38-8-3)39-9-4/h11-12,18-19H,6-10,13-17H2,1-5H3,(H,28,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.407	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241306 (CHEMBL245522 | diethyl 1-(3-(1-methyl-7-oxo-3-prop...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CC1)P(=O)(OCC)OCC Show InChI InChI=1S/C27H40N5O7PS/c1-6-10-22-24-25(31(5)30-22)27(33)29-26(28-24)21-18-20(11-12-23(21)37-17-7-2)41(35,36)32-15-13-19(14-16-32)40(34,38-8-3)39-9-4/h11-12,18-19H,6-10,13-17H2,1-5H3,(H,28,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 5 of rabbit platelets				Bioorg Med Chem Lett 14: 2099-103 (2004) Article DOI: 10.1016/j.bmcl.2004.02.040 BindingDB Entry DOI: 10.7270/Q290237J
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027730 (CHEMBL396610) Show SMILES CCCOc1ccc(NC(=O)C2CCCCC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C25H33N5O3/c1-4-9-19-21-22(30(3)29-19)25(32)28-23(27-21)18-15-17(12-13-20(18)33-14-5-2)26-24(31)16-10-7-6-8-11-16/h12-13,15-16H,4-11,14H2,1-3H3,(H,26,31)(H,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.417	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair

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