Compile Data Set for Download or QSAR

Found 226 hits with Last Name = 'sweetnam' and Initial = 'p'   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]sulpiride from dopamine D2 receptor				J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50001023 ((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...) Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa opioid receptor				J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50403547 (ATROPEN | ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]pirenzepine from muscarinic M1 receptor				J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50064176 (CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...) Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]AF-DX384 from muscarinic M2 receptor				J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50292408 ((R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxy...) Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]LTD4 from LTD4 receptor				J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DAGO from mu opioid receptor				J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50292411 ((E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)py...) Show SMILES Cc1ccc(cc1)C(=C/CN1CCCC1)\c1ccccn1 Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from histamine H1 receptor				J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM31046 (3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...) Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX781094 from alpha2 adrenergic receptor				J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50013889 ((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...) Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]LTB4 from LTB4R				J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50292409 ((Z)-7-((1R,4S,5S,6R)-6-((S,E)-3-hydroxyoct-1-enyl)...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]SQ29548 from thromboxane A2 receptor				J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50008369 ((2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...) Show SMILES Nc1nc(Cl)nc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CPX from adenosine A1 receptor				J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter				J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50005548 ((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...) Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]WIN-from cocaine site of dopamine transporter				J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50292410 ((-)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r| Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor				J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor				J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DMI from norepinephrine transporter				J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.354	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of estradiol binding to estrogen receptor				J Med Chem 41: 2928-31 (1998) Article DOI: 10.1021/jm980048b BindingDB Entry DOI: 10.7270/Q20C4ZGS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of estradiol binding to estrogen receptor				J Med Chem 41: 2928-31 (1998) Article DOI: 10.1021/jm980048b BindingDB Entry DOI: 10.7270/Q20C4ZGS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM141001 (US10570123, Example 205 | US8916576, 205) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCC(O)C3)ccc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Surface Logix, Inc. US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US8916576 (2014) BindingDB Entry DOI: 10.7270/Q2P55M6K
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140999 (US10570123, Example 203 | US8916576, 203) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCN(C)CC3)ccc2n1 Show InChI InChI=1S/C32H36N8O2/c1-3-5-30(41)34-24-7-4-6-22(18-24)31-36-29-11-9-26(42-17-16-40-14-12-39(2)13-15-40)20-27(29)32(37-31)35-25-8-10-28-23(19-25)21-33-38-28/h4,6-11,18-21H,3,5,12-17H2,1-2H3,(H,33,38)(H,34,41)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140999 (US10570123, Example 203 | US8916576, 203) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCN(C)CC3)ccc2n1 Show InChI InChI=1S/C32H36N8O2/c1-3-5-30(41)34-24-7-4-6-22(18-24)31-36-29-11-9-26(42-17-16-40-14-12-39(2)13-15-40)20-27(29)32(37-31)35-25-8-10-28-23(19-25)21-33-38-28/h4,6-11,18-21H,3,5,12-17H2,1-2H3,(H,33,38)(H,34,41)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140999 (US10570123, Example 203 | US8916576, 203) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCN(C)CC3)ccc2n1 Show InChI InChI=1S/C32H36N8O2/c1-3-5-30(41)34-24-7-4-6-22(18-24)31-36-29-11-9-26(42-17-16-40-14-12-39(2)13-15-40)20-27(29)32(37-31)35-25-8-10-28-23(19-25)21-33-38-28/h4,6-11,18-21H,3,5,12-17H2,1-2H3,(H,33,38)(H,34,41)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140996 (US10570123, Example 199 | US8916576, 199) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCC3)ccc2n1 Show InChI InChI=1S/C31H33N7O2/c1-2-6-29(39)33-23-8-5-7-21(17-23)30-35-28-12-10-25(40-16-15-38-13-3-4-14-38)19-26(28)31(36-30)34-24-9-11-27-22(18-24)20-32-37-27/h5,7-12,17-20H,2-4,6,13-16H2,1H3,(H,32,37)(H,33,39)(H,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50471710 (CHEMBL317748) Show SMILES [H][C@@]1(CCc2cc(O)ccc2[C@]1([H])c1ccc(OCCN2CCCC2)cc1)c1ccccc1 Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of estradiol binding to estrogen receptor				J Med Chem 41: 2928-31 (1998) Article DOI: 10.1021/jm980048b BindingDB Entry DOI: 10.7270/Q20C4ZGS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM141005 (US10570123, Example 210 | US8916576, 210) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CC[C@@H](C3)N(C)C)c(OC)cc2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Surface Logix, Inc. US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US8916576 (2014) BindingDB Entry DOI: 10.7270/Q2P55M6K
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM141005 (US10570123, Example 210 | US8916576, 210) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CC[C@@H](C3)N(C)C)c(OC)cc2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140996 (US10570123, Example 199 | US8916576, 199) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCC3)ccc2n1 Show InChI InChI=1S/C31H33N7O2/c1-2-6-29(39)33-23-8-5-7-21(17-23)30-35-28-12-10-25(40-16-15-38-13-3-4-14-38)19-26(28)31(36-30)34-24-9-11-27-22(18-24)20-32-37-27/h5,7-12,17-20H,2-4,6,13-16H2,1H3,(H,32,37)(H,33,39)(H,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Surface Logix, Inc. US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US8916576 (2014) BindingDB Entry DOI: 10.7270/Q2P55M6K
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140996 (US10570123, Example 199 | US8916576, 199) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCC3)ccc2n1 Show InChI InChI=1S/C31H33N7O2/c1-2-6-29(39)33-23-8-5-7-21(17-23)30-35-28-12-10-25(40-16-15-38-13-3-4-14-38)19-26(28)31(36-30)34-24-9-11-27-22(18-24)20-32-37-27/h5,7-12,17-20H,2-4,6,13-16H2,1H3,(H,32,37)(H,33,39)(H,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140996 (US10570123, Example 199 | US8916576, 199) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCC3)ccc2n1 Show InChI InChI=1S/C31H33N7O2/c1-2-6-29(39)33-23-8-5-7-21(17-23)30-35-28-12-10-25(40-16-15-38-13-3-4-14-38)19-26(28)31(36-30)34-24-9-11-27-22(18-24)20-32-37-27/h5,7-12,17-20H,2-4,6,13-16H2,1H3,(H,32,37)(H,33,39)(H,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140996 (US10570123, Example 199 | US8916576, 199) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCC3)ccc2n1 Show InChI InChI=1S/C31H33N7O2/c1-2-6-29(39)33-23-8-5-7-21(17-23)30-35-28-12-10-25(40-16-15-38-13-3-4-14-38)19-26(28)31(36-30)34-24-9-11-27-22(18-24)20-32-37-27/h5,7-12,17-20H,2-4,6,13-16H2,1H3,(H,32,37)(H,33,39)(H,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140998 (US10570123, Example 201 | US8916576, 201) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCOC)ccc2n1 Show InChI InChI=1S/C28H28N6O3/c1-3-5-26(35)30-20-7-4-6-18(14-20)27-32-25-11-9-22(37-13-12-36-2)16-23(25)28(33-27)31-21-8-10-24-19(15-21)17-29-34-24/h4,6-11,14-17H,3,5,12-13H2,1-2H3,(H,29,34)(H,30,35)(H,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Surface Logix, Inc. US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US8916576 (2014) BindingDB Entry DOI: 10.7270/Q2P55M6K
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM141001 (US10570123, Example 205 | US8916576, 205) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCC(O)C3)ccc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Surface Logix, Inc. US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US8916576 (2014) BindingDB Entry DOI: 10.7270/Q2P55M6K
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM141001 (US10570123, Example 205 | US8916576, 205) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCC(O)C3)ccc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50471711 (CHEMBL98892) Show SMILES Oc1ccc2C=C(C(Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1 |c:5| Show InChI InChI=1S/C27H27NO3/c29-23-11-8-22-18-25(20-6-2-1-3-7-20)27(31-26(22)19-23)21-9-12-24(13-10-21)30-17-16-28-14-4-5-15-28/h1-3,6-13,18-19,27,29H,4-5,14-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of estradiol binding to estrogen receptor				J Med Chem 41: 2928-31 (1998) Article DOI: 10.1021/jm980048b BindingDB Entry DOI: 10.7270/Q20C4ZGS
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM20606 ((5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phe...) Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of estradiol binding to estrogen receptor				J Med Chem 41: 2928-31 (1998) Article DOI: 10.1021/jm980048b BindingDB Entry DOI: 10.7270/Q20C4ZGS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM20606 ((5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phe...) Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of estradiol binding to estrogen receptor				J Med Chem 41: 2928-31 (1998) Article DOI: 10.1021/jm980048b BindingDB Entry DOI: 10.7270/Q20C4ZGS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140999 (US10570123, Example 203 | US8916576, 203) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCN(C)CC3)ccc2n1 Show InChI InChI=1S/C32H36N8O2/c1-3-5-30(41)34-24-7-4-6-22(18-24)31-36-29-11-9-26(42-17-16-40-14-12-39(2)13-15-40)20-27(29)32(37-31)35-25-8-10-28-23(19-25)21-33-38-28/h4,6-11,18-21H,3,5,12-17H2,1-2H3,(H,33,38)(H,34,41)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Surface Logix, Inc. US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US8916576 (2014) BindingDB Entry DOI: 10.7270/Q2P55M6K
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140999 (US10570123, Example 203 | US8916576, 203) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCN(C)CC3)ccc2n1 Show InChI InChI=1S/C32H36N8O2/c1-3-5-30(41)34-24-7-4-6-22(18-24)31-36-29-11-9-26(42-17-16-40-14-12-39(2)13-15-40)20-27(29)32(37-31)35-25-8-10-28-23(19-25)21-33-38-28/h4,6-11,18-21H,3,5,12-17H2,1-2H3,(H,33,38)(H,34,41)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Surface Logix, Inc. US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US8916576 (2014) BindingDB Entry DOI: 10.7270/Q2P55M6K
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140999 (US10570123, Example 203 | US8916576, 203) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCN(C)CC3)ccc2n1 Show InChI InChI=1S/C32H36N8O2/c1-3-5-30(41)34-24-7-4-6-22(18-24)31-36-29-11-9-26(42-17-16-40-14-12-39(2)13-15-40)20-27(29)32(37-31)35-25-8-10-28-23(19-25)21-33-38-28/h4,6-11,18-21H,3,5,12-17H2,1-2H3,(H,33,38)(H,34,41)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Surface Logix, Inc. US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US8916576 (2014) BindingDB Entry DOI: 10.7270/Q2P55M6K
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM141001 (US10570123, Example 205 | US8916576, 205) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCC(O)C3)ccc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Surface Logix, Inc. US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US8916576 (2014) BindingDB Entry DOI: 10.7270/Q2P55M6K
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140997 (US10570123, Example 200 | US8916576, 200) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCCC3)ccc2n1 Show InChI InChI=1S/C32H35N7O2/c1-2-7-30(40)34-24-9-6-8-22(18-24)31-36-29-13-11-26(41-17-16-39-14-4-3-5-15-39)20-27(29)32(37-31)35-25-10-12-28-23(19-25)21-33-38-28/h6,8-13,18-21H,2-5,7,14-17H2,1H3,(H,33,38)(H,34,40)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Surface Logix, Inc. US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US8916576 (2014) BindingDB Entry DOI: 10.7270/Q2P55M6K
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140997 (US10570123, Example 200 | US8916576, 200) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCCC3)ccc2n1 Show InChI InChI=1S/C32H35N7O2/c1-2-7-30(40)34-24-9-6-8-22(18-24)31-36-29-13-11-26(41-17-16-39-14-4-3-5-15-39)20-27(29)32(37-31)35-25-10-12-28-23(19-25)21-33-38-28/h6,8-13,18-21H,2-5,7,14-17H2,1H3,(H,33,38)(H,34,40)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140997 (US10570123, Example 200 | US8916576, 200) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCCC3)ccc2n1 Show InChI InChI=1S/C32H35N7O2/c1-2-7-30(40)34-24-9-6-8-22(18-24)31-36-29-13-11-26(41-17-16-39-14-4-3-5-15-39)20-27(29)32(37-31)35-25-10-12-28-23(19-25)21-33-38-28/h6,8-13,18-21H,2-5,7,14-17H2,1H3,(H,33,38)(H,34,40)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140999 (US10570123, Example 203 | US8916576, 203) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCN(C)CC3)ccc2n1 Show InChI InChI=1S/C32H36N8O2/c1-3-5-30(41)34-24-7-4-6-22(18-24)31-36-29-11-9-26(42-17-16-40-14-12-39(2)13-15-40)20-27(29)32(37-31)35-25-8-10-28-23(19-25)21-33-38-28/h4,6-11,18-21H,3,5,12-17H2,1-2H3,(H,33,38)(H,34,41)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140996 (US10570123, Example 199 | US8916576, 199) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCC3)ccc2n1 Show InChI InChI=1S/C31H33N7O2/c1-2-6-29(39)33-23-8-5-7-21(17-23)30-35-28-12-10-25(40-16-15-38-13-3-4-14-38)19-26(28)31(36-30)34-24-9-11-27-22(18-24)20-32-37-27/h5,7-12,17-20H,2-4,6,13-16H2,1H3,(H,32,37)(H,33,39)(H,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Surface Logix, Inc. US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US8916576 (2014) BindingDB Entry DOI: 10.7270/Q2P55M6K
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM140997 (US10570123, Example 200 | US8916576, 200) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCCC3)ccc2n1 Show InChI InChI=1S/C32H35N7O2/c1-2-7-30(40)34-24-9-6-8-22(18-24)31-36-29-13-11-26(41-17-16-39-14-4-3-5-15-39)20-27(29)32(37-31)35-25-10-12-28-23(19-25)21-33-38-28/h6,8-13,18-21H,2-5,7,14-17H2,1H3,(H,33,38)(H,34,40)(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM141001 (US10570123, Example 205 | US8916576, 205) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCC(O)C3)ccc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Surface Logix, Inc. US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US8916576 (2014) BindingDB Entry DOI: 10.7270/Q2P55M6K
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM141001 (US10570123, Example 205 | US8916576, 205) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCC(O)C3)ccc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM141001 (US10570123, Example 205 | US8916576, 205) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCC(O)C3)ccc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM141001 (US10570123, Example 205 | US8916576, 205) Show SMILES CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCC(O)C3)ccc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
SURFACE LOGIX, LLC US Patent					Assay Description ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).				US Patent US10570123 (2020) BindingDB Entry DOI: 10.7270/Q2542R1V
					More data for this Ligand-Target Pair

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