Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'yi' and Initial = 't'   

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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119679 (2-[(S)-2-(2-{2-[4-(2-Bromo-acetyl)-phenoxy]-acetyl...) Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)COc1ccc(cc1)C(=O)CBr)C(O)=O Show InChI InChI=1S/C22H26BrN3O11/c23-9-16(27)12-1-3-13(4-2-12)37-11-18(29)24-10-17(28)25-14(5-7-19(30)31)21(34)26-15(22(35)36)6-8-20(32)33/h1-4,14-15H,5-11H2,(H,24,29)(H,25,28)(H,26,34)(H,30,31)(H,32,33)(H,35,36)/t14-,15?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119683 (2-[(S)-2-(2-{[4'-(2-Bromo-acetyl)-biphenyl-2-carbo...) Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)c1ccccc1-c1ccc(cc1)C(=O)CBr)C(O)=O Show InChI InChI=1S/C27H28BrN3O10/c28-13-21(32)16-7-5-15(6-8-16)17-3-1-2-4-18(17)25(38)29-14-22(33)30-19(9-11-23(34)35)26(39)31-20(27(40)41)10-12-24(36)37/h1-8,19-20H,9-14H2,(H,29,38)(H,30,33)(H,31,39)(H,34,35)(H,36,37)(H,40,41)/t19-,20?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119685 (2-Bromo-1-(4-trifluoromethyl-phenyl)-ethanone | CH...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)CBr Show InChI InChI=1S/C9H6BrF3O/c10-5-8(14)6-1-3-7(4-2-6)9(11,12)13/h1-4H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM7880 (2-bromo-1-(4-phenylphenyl)ethan-1-one | CHEMBL4130...) Show SMILES BrCC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C14H11BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119682 (2-Bromo-1-naphthalen-2-yl-ethanone | CHEMBL101423) Show SMILES BrCC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6 (Homo sapiens (Human))	BDBM50119679 (2-[(S)-2-(2-{2-[4-(2-Bromo-acetyl)-phenoxy]-acetyl...) Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)COc1ccc(cc1)C(=O)CBr)C(O)=O Show InChI InChI=1S/C22H26BrN3O11/c23-9-16(27)12-1-3-13(4-2-12)37-11-18(29)24-10-17(28)25-14(5-7-19(30)31)21(34)26-15(22(35)36)6-8-20(32)33/h1-4,14-15H,5-11H2,(H,24,29)(H,25,28)(H,26,34)(H,30,31)(H,32,33)(H,35,36)/t14-,15?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119687 (2-Bromo-1-(4-hydroxy-phenyl)-ethanone | CHEMBL1029...) Show SMILES Oc1ccc(cc1)C(=O)CBr Show InChI InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119681 (2-Bromo-1-(4-fluoro-phenyl)-ethanone | CHEMBL31704...) Show SMILES Fc1ccc(cc1)C(=O)CBr Show InChI InChI=1S/C8H6BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM7875 (2-bromo-1-phenylethan-1-one | CHEMBL102953 | Halom...) Show SMILES BrCC(=O)c1ccccc1 Show InChI InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119686 (2-Bromo-1-naphthalen-1-yl-ethanone | CHEMBL320836) Show SMILES BrCC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C12H9BrO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM7879 (2-bromo-1-(4-methoxyphenyl)ethan-1-one | CHEMBL103...) Show SMILES COc1ccc(cc1)C(=O)CBr Show InChI InChI=1S/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.28E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119689 (2-Bromo-1-pyridin-2-yl-ethanone | 2-bromo-1-(pyrid...) Show SMILES BrCC(=O)c1ccccn1 Show InChI InChI=1S/C7H6BrNO/c8-5-7(10)6-3-1-2-4-9-6/h1-4H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.73E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119692 (CHEMBL104927 | [4-(2-Bromo-acetyl)-phenoxy]-acetic...) Show SMILES OC(=O)COc1ccc(cc1)C(=O)CBr Show InChI InChI=1S/C10H9BrO4/c11-5-9(12)7-1-3-8(4-2-7)15-6-10(13)14/h1-4H,5-6H2,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.93E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119691 (2-Bromo-1-(4-nitro-phenyl)-ethanone | CHEMBL106072) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)CBr Show InChI InChI=1S/C8H6BrNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	1.95E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6 (Homo sapiens (Human))	BDBM50119683 (2-[(S)-2-(2-{[4'-(2-Bromo-acetyl)-biphenyl-2-carbo...) Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)c1ccccc1-c1ccc(cc1)C(=O)CBr)C(O)=O Show InChI InChI=1S/C27H28BrN3O10/c28-13-21(32)16-7-5-15(6-8-16)17-3-1-2-4-18(17)25(38)29-14-22(33)30-19(9-11-23(34)35)26(39)31-20(27(40)41)10-12-24(36)37/h1-8,19-20H,9-14H2,(H,29,38)(H,30,33)(H,31,39)(H,34,35)(H,36,37)(H,40,41)/t19-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119695 (4'-(2-Bromo-acetyl)-biphenyl-2-carboxylic acid | C...) Show SMILES OC(=O)c1ccccc1-c1ccc(cc1)C(=O)CBr Show InChI InChI=1S/C15H11BrO3/c16-9-14(17)11-7-5-10(6-8-11)12-3-1-2-4-13(12)15(18)19/h1-8H,9H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119680 (2-Chloro-1-(4-fluoro-phenyl)-ethanone | CHEMBL1050...) Show SMILES Fc1ccc(cc1)C(=O)CCl Show InChI InChI=1S/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM7873 (2-chloro-1-phenylethan-1-one | CHEMBL105712 | Halo...) Show SMILES ClCC(=O)c1ccccc1 Show InChI InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	4.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119694 (2-[(S)-2-(2-{2-[4-(2-Bromo-acetyl)-phenoxy]-acetyl...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#6]Br)-[#6](-[#8])=O Show InChI InChI=1S/C24H36BrN9O7/c25-11-18(35)14-5-7-15(8-6-14)41-13-20(37)32-12-19(36)33-16(3-1-9-30-23(26)27)21(38)34-17(22(39)40)4-2-10-31-24(28)29/h5-8,16-17H,1-4,9-13H2,(H,32,37)(H,33,36)(H,34,38)(H,39,40)(H4,26,27,30)(H4,28,29,31)/t16-,17?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119688 (2-chloro-1-(3,4-dihydroxyphenyl)ethanone | 2-chlor...) Show SMILES Oc1ccc(cc1O)C(=O)CCl Show InChI InChI=1S/C8H7ClO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	1.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119684 (CHEMBL319676 | [4-(2-Chloro-acetyl)-phenoxy]-aceti...) Show SMILES OC(=O)COc1ccc(cc1)C(=O)CCl Show InChI InChI=1S/C10H9ClO4/c11-5-9(12)7-1-3-8(4-2-7)15-6-10(13)14/h1-4H,5-6H2,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119690 (2-Chloro-1-(2,4-difluoro-phenyl)-ethanone | CHEMBL...) Show SMILES Fc1ccc(C(=O)CCl)c(F)c1 Show InChI InChI=1S/C8H5ClF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.75E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119693 (2-BROMOACETYL GROUP | 2-bromoacetic acid | Bromo-a...) Show SMILES OC(=O)CBr Show InChI InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid UniChem Patents	PubMed	7.70E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14046 (Aminofurazanyl-azabenzimidazole 6m | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN(C)C)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C27H28N8O4/c1-4-35-22-15-23(29-16-21(22)31-26(35)24-25(28)33-39-32-24)38-20-7-5-6-18(14-20)30-27(36)17-8-10-19(11-9-17)37-13-12-34(2)3/h5-11,14-16H,4,12-13H2,1-3H3,(H2,28,33)(H,30,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14042 (Aminofurazanyl-azabenzimidazole 6i | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N4CCOCC4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C27H26N8O4/c1-2-35-22-15-23(29-16-21(22)31-26(35)24-25(28)33-39-32-24)38-20-5-3-4-18(14-20)30-27(36)17-6-8-19(9-7-17)34-10-12-37-13-11-34/h3-9,14-16H,2,10-13H2,1H3,(H2,28,33)(H,30,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14043 (Aminofurazanyl-azabenzimidazole 6j | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C24H22N8O3/c1-2-32-19-11-20(27-13-18(19)29-23(32)21-22(26)31-35-30-21)34-17-5-3-4-16(10-17)28-24(33)15-8-6-14(12-25)7-9-15/h3-11,13H,2,12,25H2,1H3,(H2,26,31)(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14044 (Aminofurazanyl-azabenzimidazole 6k | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN(C)C)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C26H26N8O3/c1-4-34-21-13-22(28-14-20(21)30-25(34)23-24(27)32-37-31-23)36-19-7-5-6-18(12-19)29-26(35)17-10-8-16(9-11-17)15-33(2)3/h5-14H,4,15H2,1-3H3,(H2,27,32)(H,29,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14045 (Aminofurazanyl-azabenzimidazole 6l | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C28H28N8O4/c1-2-36-23-15-24(30-16-22(23)32-27(36)25-26(29)34-40-33-25)39-21-5-3-4-20(14-21)31-28(37)19-8-6-18(7-9-19)17-35-10-12-38-13-11-35/h3-9,14-16H,2,10-13,17H2,1H3,(H2,29,34)(H,31,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14047 (Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub...				J Pharmacol Exp Ther 320: 89-98 (2006) Article DOI: 10.1124/jpet.106.110635 BindingDB Entry DOI: 10.7270/Q2DV1KBV
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14035 (Aminofurazanyl-azabenzimidazole 6c | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(C)=O)c3)cc12)-c1nonc1N Show InChI InChI=1S/C18H17N7O3/c1-3-25-14-8-15(27-12-6-4-5-11(7-12)21-10(2)26)20-9-13(14)22-18(25)16-17(19)24-28-23-16/h4-9H,3H2,1-2H3,(H2,19,24)(H,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14047 (Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM25494 (4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-...) Show SMILES COc1cc(ccn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9| Show InChI InChI=1S/C25H20ClFN6O2/c1-13-22(25(34)31-17-4-6-20-15(9-17)12-29-33-20)23(18-5-3-16(26)11-19(18)27)32-24(30-13)14-7-8-28-21(10-14)35-2/h3-12,23H,1-2H3,(H,29,33)(H,30,32)(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...				J Med Chem 51: 6631-4 (2008) Article DOI: 10.1021/jm8005096 BindingDB Entry DOI: 10.7270/Q2F47MFZ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14041 (Aminofurazanyl-azabenzimidazole 6h | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N(C)C)c3)cc12)-c1nonc1N Show InChI InChI=1S/C25H24N8O3/c1-4-33-20-13-21(27-14-19(20)29-24(33)22-23(26)31-36-30-22)35-18-7-5-6-16(12-18)28-25(34)15-8-10-17(11-9-15)32(2)3/h5-14H,4H2,1-3H3,(H2,26,31)(H,28,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM25495 (4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-...) Show SMILES COc1ccc(cn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9| Show InChI InChI=1S/C25H20ClFN6O2/c1-13-22(25(34)31-17-5-7-20-15(9-17)12-29-33-20)23(18-6-4-16(26)10-19(18)27)32-24(30-13)14-3-8-21(35-2)28-11-14/h3-12,23H,1-2H3,(H,29,33)(H,30,32)(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...				J Med Chem 51: 6631-4 (2008) Article DOI: 10.1021/jm8005096 BindingDB Entry DOI: 10.7270/Q2F47MFZ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM25493 (4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-y...) Show SMILES CC1=C(C(NC(=N1)c1ccnc(Cl)c1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1| Show InChI InChI=1S/C24H17Cl2FN6O/c1-12-21(24(34)31-16-3-5-19-14(8-16)11-29-33-19)22(17-4-2-15(25)10-18(17)27)32-23(30-12)13-6-7-28-20(26)9-13/h2-11,22H,1H3,(H,29,33)(H,30,32)(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...				J Med Chem 51: 6631-4 (2008) Article DOI: 10.1021/jm8005096 BindingDB Entry DOI: 10.7270/Q2F47MFZ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM14047 (Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human ROCK2				J Pharmacol Exp Ther 320: 89-98 (2006) Article DOI: 10.1124/jpet.106.110635 BindingDB Entry DOI: 10.7270/Q2DV1KBV
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14040 (Aminofurazanyl-azabenzimidazole 6g | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccccc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C23H19N7O3/c1-2-30-18-12-19(25-13-17(18)27-22(30)20-21(24)29-33-28-20)32-16-10-6-9-15(11-16)26-23(31)14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H2,24,29)(H,26,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14033 (4-{1-ethyl-6-methoxy-1H-imidazo[4,5-c]pyridin-2-yl...) Show SMILES CCn1c(nc2cnc(OC)cc12)-c1nonc1N Show InChI InChI=1S/C11H12N6O2/c1-3-17-7-4-8(18-2)13-5-6(7)14-11(17)9-10(12)16-19-15-9/h4-5H,3H2,1-2H3,(H2,12,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14050 (N-(1H-indazol-5-yl)-2-methyl-6-oxo-4-[4-(trifluoro...) Show SMILES CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1 |t:1| Show InChI InChI=1S/C21H17F3N4O2/c1-11-19(20(30)27-15-6-7-17-13(8-15)10-25-28-17)16(9-18(29)26-11)12-2-4-14(5-3-12)21(22,23)24/h2-8,10,16H,9H2,1H3,(H,25,28)(H,26,29)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 6-9 (2007) Article DOI: 10.1021/jm0609014 BindingDB Entry DOI: 10.7270/Q298858V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM25492 (4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-...) Show SMILES COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9| Show InChI InChI=1S/C26H21ClFN5O2/c1-14-23(26(34)31-18-6-10-22-16(11-18)13-29-33-22)24(20-9-5-17(27)12-21(20)28)32-25(30-14)15-3-7-19(35-2)8-4-15/h3-13,24H,1-2H3,(H,29,33)(H,30,32)(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...				J Med Chem 51: 6631-4 (2008) Article DOI: 10.1021/jm8005096 BindingDB Entry DOI: 10.7270/Q2F47MFZ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50365218 (CHEMBL1956071 | GSK screening, 29) Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub...				J Pharmacol Exp Ther 320: 89-98 (2006) Article DOI: 10.1124/jpet.106.110635 BindingDB Entry DOI: 10.7270/Q2DV1KBV
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM25496 (4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-y...) Show SMILES CC1=C(C(NC(=N1)c1ccnc(Cl)c1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F |c:5,t:1| Show InChI InChI=1S/C24H16Cl2F2N6O/c1-11-21(24(35)32-19-6-13-10-30-34-18(13)9-17(19)28)22(15-3-2-14(25)8-16(15)27)33-23(31-11)12-4-5-29-20(26)7-12/h2-10,22H,1H3,(H,30,34)(H,31,33)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...				J Med Chem 51: 6631-4 (2008) Article DOI: 10.1021/jm8005096 BindingDB Entry DOI: 10.7270/Q2F47MFZ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50365218 (CHEMBL1956071 | GSK screening, 29) Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
GlaxoSmithKline Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human ROCK2				J Pharmacol Exp Ther 320: 89-98 (2006) Article DOI: 10.1124/jpet.106.110635 BindingDB Entry DOI: 10.7270/Q2DV1KBV
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM25498 (4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol...) Show SMILES COc1cc(ccn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F |c:12,t:9| Show InChI InChI=1S/C25H19ClF2N6O2/c1-12-22(25(35)32-20-7-14-11-30-34-19(14)10-18(20)28)23(16-4-3-15(26)9-17(16)27)33-24(31-12)13-5-6-29-21(8-13)36-2/h3-11,23H,1-2H3,(H,30,34)(H,31,33)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...				J Med Chem 51: 6631-4 (2008) Article DOI: 10.1021/jm8005096 BindingDB Entry DOI: 10.7270/Q2F47MFZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM608058 (US11691965, Compounds of formula (1)) Show SMILES COCCN1C[C@@H](NC(=O)Nc2c(C)c(nn2-c2ccccc2)-c2cnc(nc2)C2(F)COC2)[C@@H](C1)n1ccc(F)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.64	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2V69PQJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14051 (4-(3,4-Dichlorophenyl)-N-1H-indazol-5-yl-2-methyl-...) Show SMILES CC1=C(C(CC(=O)N1)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1| Show InChI InChI=1S/C20H16Cl2N4O2/c1-10-19(20(28)25-13-3-5-17-12(6-13)9-23-26-17)14(8-18(27)24-10)11-2-4-15(21)16(22)7-11/h2-7,9,14H,8H2,1H3,(H,23,26)(H,24,27)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 6-9 (2007) Article DOI: 10.1021/jm0609014 BindingDB Entry DOI: 10.7270/Q298858V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14056 (N-(7-chloro-1H-indazol-5-yl)-2-methyl-6-oxo-4-[4-(...) Show SMILES CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc(Cl)c2[nH]ncc2c1 |t:1| Show InChI InChI=1S/C21H16ClF3N4O2/c1-10-18(20(31)28-14-6-12-9-26-29-19(12)16(22)7-14)15(8-17(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-7,9,15H,8H2,1H3,(H,26,29)(H,27,30)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 6-9 (2007) Article DOI: 10.1021/jm0609014 BindingDB Entry DOI: 10.7270/Q298858V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM25483 (4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-...) Show SMILES CC1=C(C(NC(=N1)c1ccncc1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1| Show InChI InChI=1S/C24H19FN6O/c1-14-21(24(32)29-19-6-7-20-17(12-19)13-27-31-20)22(15-2-4-18(25)5-3-15)30-23(28-14)16-8-10-26-11-9-16/h2-13,22H,1H3,(H,27,31)(H,28,30)(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...				J Med Chem 51: 6631-4 (2008) Article DOI: 10.1021/jm8005096 BindingDB Entry DOI: 10.7270/Q2F47MFZ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14052 (N-(1H-indazol-5-yl)-2-methyl-4-(naphthalen-2-yl)-6...) Show SMILES CC1=C(C(CC(=O)N1)c1ccc2ccccc2c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1| Show InChI InChI=1S/C24H20N4O2/c1-14-23(24(30)27-19-8-9-21-18(11-19)13-25-28-21)20(12-22(29)26-14)17-7-6-15-4-2-3-5-16(15)10-17/h2-11,13,20H,12H2,1H3,(H,25,28)(H,26,29)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 6-9 (2007) Article DOI: 10.1021/jm0609014 BindingDB Entry DOI: 10.7270/Q298858V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14053 (2-methyl-N-(3-methyl-1H-indazol-5-yl)-6-oxo-4-[4-(...) Show SMILES Cc1n[nH]c2ccc(NC(=O)C3=C(C)NC(=O)CC3c3ccc(cc3)C(F)(F)F)cc12 |c:11| Show InChI InChI=1S/C22H19F3N4O2/c1-11-16-9-15(7-8-18(16)29-28-11)27-21(31)20-12(2)26-19(30)10-17(20)13-3-5-14(6-4-13)22(23,24)25/h3-9,17H,10H2,1-2H3,(H,26,30)(H,27,31)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 6-9 (2007) Article DOI: 10.1021/jm0609014 BindingDB Entry DOI: 10.7270/Q298858V
					More data for this Ligand-Target Pair

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