Compile Data Set for Download or QSAR

Found 219 hits with Last Name = 'skell' and Initial = 'j'   

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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474902 (CHEMBL187309) Show SMILES Clc1ccc(cn1)C1CC2CCC1CN2 |THB:4:7:14.13:11.10| Show InChI InChI=1S/C12H15ClN2/c13-12-4-2-9(7-15-12)11-5-10-3-1-8(11)6-14-10/h2,4,7-8,10-11,14H,1,3,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]- cytisine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes				Bioorg Med Chem Lett 14: 5573-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.058 BindingDB Entry DOI: 10.7270/Q2XG9TWT
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50018174 (CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...) Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1 |w:9.8| Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5				J Med Chem 32: 1253-9 (1989) BindingDB Entry DOI: 10.7270/Q2K64H2K
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50018174 (CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...) Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1 |w:9.8| Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 7				J Med Chem 32: 1253-9 (1989) BindingDB Entry DOI: 10.7270/Q2K64H2K
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50018173 (CHEMBL22745 | N-{2-[(2-Acetylamino-propionyl)-hydr...) Show SMILES C[C@H](NC(C)=O)C(=O)NN=CCNC(=O)c1ccccc1 |w:10.10| Show InChI InChI=1S/C14H18N4O3/c1-10(17-11(2)19)13(20)18-16-9-8-15-14(21)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,15,21)(H,17,19)(H,18,20)/t10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 7				J Med Chem 32: 1253-9 (1989) BindingDB Entry DOI: 10.7270/Q2K64H2K
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50018174 (CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...) Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1 |w:9.8| Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.8	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5				J Med Chem 32: 1253-9 (1989) BindingDB Entry DOI: 10.7270/Q2K64H2K
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50018173 (CHEMBL22745 | N-{2-[(2-Acetylamino-propionyl)-hydr...) Show SMILES C[C@H](NC(C)=O)C(=O)NN=CCNC(=O)c1ccccc1 |w:10.10| Show InChI InChI=1S/C14H18N4O3/c1-10(17-11(2)19)13(20)18-16-9-8-15-14(21)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,15,21)(H,17,19)(H,18,20)/t10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5				J Med Chem 32: 1253-9 (1989) BindingDB Entry DOI: 10.7270/Q2K64H2K
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50018174 (CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...) Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1 |w:9.8| Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amherst College Curated by ChEMBL					Assay Description Initial rate of reaction between Chymotrypsinogen and BzArg p-nitro-anilide in the presence of 400 microM of the compound at pH 7				J Med Chem 32: 1253-9 (1989) BindingDB Entry DOI: 10.7270/Q2K64H2K
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50018173 (CHEMBL22745 | N-{2-[(2-Acetylamino-propionyl)-hydr...) Show SMILES C[C@H](NC(C)=O)C(=O)NN=CCNC(=O)c1ccccc1 |w:10.10| Show InChI InChI=1S/C14H18N4O3/c1-10(17-11(2)19)13(20)18-16-9-8-15-14(21)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,15,21)(H,17,19)(H,18,20)/t10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5				J Med Chem 32: 1253-9 (1989) BindingDB Entry DOI: 10.7270/Q2K64H2K
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50018175 (CHEMBL22389 | N-{1-Benzyl-2-[(pyridine-3-carbonyl)...) Show SMILES O=C(NN=CC(Cc1ccccc1)NC(=O)c1ccccc1)c1cccnc1 |w:3.2| Show InChI InChI=1S/C22H20N4O2/c27-21(18-10-5-2-6-11-18)25-20(14-17-8-3-1-4-9-17)16-24-26-22(28)19-12-7-13-23-15-19/h1-13,15-16,20H,14H2,(H,25,27)(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5				J Med Chem 32: 1253-9 (1989) BindingDB Entry DOI: 10.7270/Q2K64H2K
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50018175 (CHEMBL22389 | N-{1-Benzyl-2-[(pyridine-3-carbonyl)...) Show SMILES O=C(NN=CC(Cc1ccccc1)NC(=O)c1ccccc1)c1cccnc1 |w:3.2| Show InChI InChI=1S/C22H20N4O2/c27-21(18-10-5-2-6-11-18)25-20(14-17-8-3-1-4-9-17)16-24-26-22(28)19-12-7-13-23-15-19/h1-13,15-16,20H,14H2,(H,25,27)(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 7.8				J Med Chem 32: 1253-9 (1989) BindingDB Entry DOI: 10.7270/Q2K64H2K
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50018174 (CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...) Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1 |w:9.8| Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5.5				J Med Chem 32: 1253-9 (1989) BindingDB Entry DOI: 10.7270/Q2K64H2K
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50018173 (CHEMBL22745 | N-{2-[(2-Acetylamino-propionyl)-hydr...) Show SMILES C[C@H](NC(C)=O)C(=O)NN=CCNC(=O)c1ccccc1 |w:10.10| Show InChI InChI=1S/C14H18N4O3/c1-10(17-11(2)19)13(20)18-16-9-8-15-14(21)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,15,21)(H,17,19)(H,18,20)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	>8.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5				J Med Chem 32: 1253-9 (1989) BindingDB Entry DOI: 10.7270/Q2K64H2K
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM14776 (2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...) Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 5				Bioorg Med Chem Lett 15: 2365-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.083 BindingDB Entry DOI: 10.7270/Q2TM79MQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50120086 (8-Cyclohexylamino-1,3-diethyl-7-(3-fluoro-4-methox...) Show SMILES CCn1c2nc(NC3CCCCC3)n(Cc3ccc(OC)c(F)c3)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C23H30FN5O3/c1-4-27-20-19(21(30)28(5-2)23(27)31)29(14-15-11-12-18(32-3)17(24)13-15)22(26-20)25-16-9-7-6-8-10-16/h11-13,16H,4-10,14H2,1-3H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50120069 (8-Cyclohexylamino-1,3-diethyl-7-(3-fluoro-4-hydrox...) Show SMILES CCn1c2nc(NC3CCCCC3)n(Cc3ccc(O)c(F)c3)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C22H28FN5O3/c1-3-26-19-18(20(30)27(4-2)22(26)31)28(13-14-10-11-17(29)16(23)12-14)21(25-19)24-15-8-6-5-7-9-15/h10-12,15,29H,3-9,13H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50120079 (7-(3-Chloro-4-methoxy-benzyl)-8-cyclohexylamino-1,...) Show SMILES CCn1c2nc(NC3CCCCC3)n(Cc3ccc(OC)c(Cl)c3)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C23H30ClN5O3/c1-4-27-20-19(21(30)28(5-2)23(27)31)29(14-15-11-12-18(32-3)17(24)13-15)22(26-20)25-16-9-7-6-8-10-16/h11-13,16H,4-10,14H2,1-3H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50120074 (8-Cyclohexylamino-1,3-diethyl-7-(4-hydroxy-benzyl)...) Show SMILES CCn1c2nc(NC3CCCCC3)n(Cc3ccc(O)cc3)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C22H29N5O3/c1-3-25-19-18(20(29)26(4-2)22(25)30)27(14-15-10-12-17(28)13-11-15)21(24-19)23-16-8-6-5-7-9-16/h10-13,16,28H,3-9,14H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50120067 (8-Cyclopentylamino-1,3-diethyl-7-(3-fluoro-4-metho...) Show SMILES CCn1c2nc(NC3CCCC3)n(Cc3ccc(OC)c(F)c3)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C22H28FN5O3/c1-4-26-19-18(20(29)27(5-2)22(26)30)28(21(25-19)24-15-8-6-7-9-15)13-14-10-11-17(31-3)16(23)12-14/h10-12,15H,4-9,13H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50120072 (8-Cyclopentylamino-1,3-diethyl-7-(3-fluoro-4-hydro...) Show SMILES CCn1c2nc(NC3CCCC3)n(Cc3ccc(O)c(F)c3)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26FN5O3/c1-3-25-18-17(19(29)26(4-2)21(25)30)27(12-13-9-10-16(28)15(22)11-13)20(24-18)23-14-7-5-6-8-14/h9-11,14,28H,3-8,12H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50120071 (7-(3-Chloro-4-methoxy-benzyl)-8-cyclopentylamino-1...) Show SMILES CCn1c2nc(NC3CCCC3)n(Cc3ccc(OC)c(Cl)c3)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C22H28ClN5O3/c1-4-26-19-18(20(29)27(5-2)22(26)30)28(21(25-19)24-15-8-6-7-9-15)13-14-10-11-17(31-3)16(23)12-14/h10-12,15H,4-9,13H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50120080 (8-Cyclohexylamino-1,3-diethyl-7-(3-hydroxy-benzyl)...) Show SMILES CCn1c2nc(NC3CCCCC3)n(Cc3cccc(O)c3)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C22H29N5O3/c1-3-25-19-18(20(29)26(4-2)22(25)30)27(14-15-9-8-12-17(28)13-15)21(24-19)23-16-10-6-5-7-11-16/h8-9,12-13,16,28H,3-7,10-11,14H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50120070 (8-Cyclopentylamino-1,3-diethyl-7-(4-methoxy-benzyl...) Show SMILES CCn1c2nc(NC3CCCC3)n(Cc3ccc(O)cc3)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H27N5O3/c1-3-24-18-17(19(28)25(4-2)21(24)29)26(13-14-9-11-16(27)12-10-14)20(23-18)22-15-7-5-6-8-15/h9-12,15,27H,3-8,13H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50120081 (7-(3-Bromo-4-methoxy-benzyl)-8-cyclohexylamino-1,3...) Show SMILES CCn1c2nc(NC3CCCCC3)n(Cc3ccc(OC)c(Br)c3)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C23H30BrN5O3/c1-4-27-20-19(21(30)28(5-2)23(27)31)29(14-15-11-12-18(32-3)17(24)13-15)22(26-20)25-16-9-7-6-8-10-16/h11-13,16H,4-10,14H2,1-3H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50120078 (7-(3-Chloro-4-hydroxy-benzyl)-8-cyclopentylamino-1...) Show SMILES CCn1c2nc(NC3CCCC3)n(Cc3ccc(O)c(Cl)c3)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26ClN5O3/c1-3-25-18-17(19(29)26(4-2)21(25)30)27(12-13-9-10-16(28)15(22)11-13)20(24-18)23-14-7-5-6-8-14/h9-11,14,28H,3-8,12H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50120085 (7-(3-Chloro-4-hydroxy-benzyl)-8-cyclohexylamino-1,...) Show SMILES CCn1c2nc(NC3CCCCC3)n(Cc3ccc(O)c(Cl)c3)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C22H28ClN5O3/c1-3-26-19-18(20(30)27(4-2)22(26)31)28(13-14-10-11-17(29)16(23)12-14)21(25-19)24-15-8-6-5-7-9-15/h10-12,15,29H,3-9,13H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273951 (CHEMBL4126165) Show SMILES Cc1cc(CNC(=O)c2nc3n(CCCC33CCCC3)c(=O)c2O)ccc1F Show InChI InChI=1S/C21H24FN3O3/c1-13-11-14(5-6-15(13)22)12-23-18(27)16-17(26)19(28)25-10-4-9-21(20(25)24-16)7-2-3-8-21/h5-6,11,26H,2-4,7-10,12H2,1H3,(H,23,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273914 (CHEMBL4126686) Show SMILES Cc1cc(F)ccc1CNC(=O)c1nc2n(CCOC2(C)C)c(=O)c1O Show InChI InChI=1S/C18H20FN3O4/c1-10-8-12(19)5-4-11(10)9-20-15(24)13-14(23)16(25)22-6-7-26-18(2,3)17(22)21-13/h4-5,8,23H,6-7,9H2,1-3H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50120068 (8-Cyclopentylamino-1,3-diethyl-7-(4-methoxy-benzyl...) Show SMILES CCn1c2nc(NC3CCCC3)n(Cc3ccc(OC)cc3)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C22H29N5O3/c1-4-25-19-18(20(28)26(5-2)22(25)29)27(14-15-10-12-17(30-3)13-11-15)21(24-19)23-16-8-6-7-9-16/h10-13,16H,4-9,14H2,1-3H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50165781 ((R)-7-Benzyl-2-chloro-5-ethyl-3-(4-hydroxy-benzyl)...) Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(Cl)n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C23H22ClN5O2/c1-2-27-21(31)19-20(26-22(24)28(19)13-16-8-10-18(30)11-9-16)29-14-17(25-23(27)29)12-15-6-4-3-5-7-15/h3-11,17,30H,2,12-14H2,1H3/t17-/m1/s1	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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 5				Bioorg Med Chem Lett 15: 2365-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.083 BindingDB Entry DOI: 10.7270/Q2TM79MQ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50165771 ((R)-7-Benzyl-2-bromo-5-ethyl-3-(4-hydroxy-benzyl)-...) Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(Br)n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C23H22BrN5O2/c1-2-27-21(31)19-20(26-22(24)28(19)13-16-8-10-18(30)11-9-16)29-14-17(25-23(27)29)12-15-6-4-3-5-7-15/h3-11,17,30H,2,12-14H2,1H3/t17-/m1/s1	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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 5				Bioorg Med Chem Lett 15: 2365-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.083 BindingDB Entry DOI: 10.7270/Q2TM79MQ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50120083 (8-Cyclohexylamino-1,3-diethyl-7-(4-methoxy-benzyl)...) Show SMILES CCn1c2nc(NC3CCCCC3)n(Cc3ccc(OC)cc3)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C23H31N5O3/c1-4-26-20-19(21(29)27(5-2)23(26)30)28(15-16-11-13-18(31-3)14-12-16)22(25-20)24-17-9-7-6-8-10-17/h11-14,17H,4-10,15H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273903 (CHEMBL4129717) Show SMILES Oc1c(nc2n(CCCC22CCCC2)c1=O)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H22FN3O3/c21-14-6-4-13(5-7-14)12-22-17(26)15-16(25)18(27)24-11-3-10-20(19(24)23-15)8-1-2-9-20/h4-7,25H,1-3,8-12H2,(H,22,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273915 (CHEMBL4127891) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)c(Cl)c1)c(O)c2=O Show InChI InChI=1S/C17H17ClFN3O4/c1-17(2)16-21-12(13(23)15(25)22(16)5-6-26-17)14(24)20-8-9-3-4-11(19)10(18)7-9/h3-4,7,23H,5-6,8H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273913 (CHEMBL4127663) Show SMILES Cc1cc(CNC(=O)c2nc3n(CCOC3(C)C)c(=O)c2O)ccc1F Show InChI InChI=1S/C18H20FN3O4/c1-10-8-11(4-5-12(10)19)9-20-15(24)13-14(23)16(25)22-6-7-26-18(2,3)17(22)21-13/h4-5,8,23H,6-7,9H2,1-3H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273916 (CHEMBL4126289) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O Show InChI InChI=1S/C17H18FN3O4/c1-17(2)16-20-12(13(22)15(24)21(16)7-8-25-17)14(23)19-9-10-3-5-11(18)6-4-10/h3-6,22H,7-9H2,1-2H3,(H,19,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50165773 ((R)-7-Benzyl-5-ethyl-3-(4-hydroxy-benzyl)-2-iodo-7...) Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(I)n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C23H22IN5O2/c1-2-27-21(31)19-20(26-22(24)28(19)13-16-8-10-18(30)11-9-16)29-14-17(25-23(27)29)12-15-6-4-3-5-7-15/h3-11,17,30H,2,12-14H2,1H3/t17-/m1/s1	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 5				Bioorg Med Chem Lett 15: 2365-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.083 BindingDB Entry DOI: 10.7270/Q2TM79MQ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM14390 (5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 5				Bioorg Med Chem Lett 15: 2365-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.083 BindingDB Entry DOI: 10.7270/Q2TM79MQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM14390 (5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50120075 (7-Benzo[1,3]dioxol-5-ylmethyl-8-cyclohexylamino-1,...) Show SMILES CCn1c2nc(NC3CCCCC3)n(Cc3ccc4OCOc4c3)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C23H29N5O4/c1-3-26-20-19(21(29)27(4-2)23(26)30)28(22(25-20)24-16-8-6-5-7-9-16)13-15-10-11-17-18(12-15)32-14-31-17/h10-12,16H,3-9,13-14H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273950 (CHEMBL4128240) Show SMILES CS(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc2n(CCCC22CCCC2)c(=O)c1O Show InChI InChI=1S/C21H24FN3O5S/c1-31(29,30)15-11-14(22)6-5-13(15)12-23-18(27)16-17(26)19(28)25-10-4-9-21(20(25)24-16)7-2-3-8-21/h5-6,11,26H,2-4,7-10,12H2,1H3,(H,23,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM14777 ((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...) Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/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 Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 5				Bioorg Med Chem Lett 15: 2365-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.083 BindingDB Entry DOI: 10.7270/Q2TM79MQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50120076 (8-Cyclohexylamino-1,3-diethyl-7-(4-hydroxy-3-methy...) Show SMILES CCn1c2nc(NC3CCCCC3)n(Cc3ccc(O)c(C)c3)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C23H31N5O3/c1-4-26-20-19(21(30)27(5-2)23(26)31)28(14-16-11-12-18(29)15(3)13-16)22(25-20)24-17-9-7-6-8-10-17/h11-13,17,29H,4-10,14H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined				Bioorg Med Chem Lett 12: 3149-52 (2002) BindingDB Entry DOI: 10.7270/Q2S46R83
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50140595 ((R)-2,7-Dibenzyl-5-ethyl-7,8-dihydro-1H,5H-imidazo...) Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(Cc3ccccc3)[nH]c2C1=O |t:3| Show InChI InChI=1S/C23H23N5O/c1-2-27-22(29)20-21(26-19(25-20)14-17-11-7-4-8-12-17)28-15-18(24-23(27)28)13-16-9-5-3-6-10-16/h3-12,18H,2,13-15H2,1H3,(H,25,26)/t18-/m1/s1	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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 5				Bioorg Med Chem Lett 15: 2365-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.083 BindingDB Entry DOI: 10.7270/Q2TM79MQ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273965 (CHEMBL4127923) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1N1CCOCC1)c(O)c2=O Show InChI InChI=1S/C21H25FN4O5/c1-21(2)20-24-16(17(27)19(29)26(20)7-10-31-21)18(28)23-12-13-3-4-14(22)11-15(13)25-5-8-30-9-6-25/h3-4,11,27H,5-10,12H2,1-2H3,(H,23,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273948 (CHEMBL4127873) Show SMILES Oc1c(nc2n(CCCC22CCCC2)c1=O)C(=O)NCc1ccc(F)cc1N1CCCCS1(=O)=O Show InChI InChI=1S/C24H29FN4O5S/c25-17-7-6-16(18(14-17)29-12-3-4-13-35(29,33)34)15-26-21(31)19-20(30)22(32)28-11-5-10-24(23(28)27-19)8-1-2-9-24/h6-7,14,30H,1-5,8-13,15H2,(H,26,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50241107 (1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazo...) Show SMILES Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding				J Med Chem 31: 1548-58 (1988) BindingDB Entry DOI: 10.7270/Q25B032R
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50165787 ((R)-7-Benzyl-5-ethyl-3-(4-hydroxy-benzyl)-2-phenyl...) Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(C#Cc3ccccc3)n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C31H27N5O2/c1-2-34-30(38)28-29(36-21-25(32-31(34)36)19-23-11-7-4-8-12-23)33-27(18-15-22-9-5-3-6-10-22)35(28)20-24-13-16-26(37)17-14-24/h3-14,16-17,25,37H,2,19-21H2,1H3/t25-/m1/s1	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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 5				Bioorg Med Chem Lett 15: 2365-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.083 BindingDB Entry DOI: 10.7270/Q2TM79MQ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273902 (CHEMBL4126659) Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc2n(CCCC22CCCC2)c(=O)c1O Show InChI InChI=1S/C22H27FN4O5S/c1-26(2)33(31,32)16-12-15(23)7-6-14(16)13-24-19(29)17-18(28)20(30)27-11-5-10-22(21(27)25-17)8-3-4-9-22/h6-7,12,28H,3-5,8-11,13H2,1-2H3,(H,24,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273963 (CHEMBL4128890) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1S(C)(=O)=O)c(O)c2=O Show InChI InChI=1S/C18H20FN3O6S/c1-18(2)17-21-13(14(23)16(25)22(17)6-7-28-18)15(24)20-9-10-4-5-11(19)8-12(10)29(3,26)27/h4-5,8,23H,6-7,9H2,1-3H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50165782 (5-Ethyl-1-(4-hydroxy-benzyl)-2-phenylethynyl-7-((R...) Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2c(nc(C#Cc3ccccc3)n2Cc2ccc(O)cc2)C1=O |t:3| Show InChI InChI=1S/C31H27N5O2/c1-2-34-30(38)28-29(36-21-25(32-31(34)36)19-23-11-7-4-8-12-23)35(20-24-13-16-26(37)17-14-24)27(33-28)18-15-22-9-5-3-6-10-22/h3-14,16-17,25,37H,2,19-21H2,1H3/t25-/m1/s1	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	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 5				Bioorg Med Chem Lett 15: 2365-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.083 BindingDB Entry DOI: 10.7270/Q2TM79MQ
					More data for this Ligand-Target Pair

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