Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1 [17-535]'   

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
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM97666 (US8476295, 1.1.04) Show SMILES Cc1ccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)cc1OCCO |THB:14:12:8.9:6| Show InChI InChI=1S/C24H30N4O2/c1-16-2-3-17(10-24(16)30-9-8-29)15-28-21-5-6-22(28)13-20(12-21)26-19-4-7-23-18(11-19)14-25-27-23/h2-4,7,10-11,14,20-22,26,29H,5-6,8-9,12-13,15H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	35	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM97665 (US8476295, 1.1.03) Show SMILES OCCOc1cccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)c1 |THB:18:16:12.13:10| Show InChI InChI=1S/C23H28N4O2/c28-8-9-29-22-3-1-2-16(10-22)15-27-20-5-6-21(27)13-19(12-20)25-18-4-7-23-17(11-18)14-24-26-23/h1-4,7,10-11,14,19-21,25,28H,5-6,8-9,12-13,15H2,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	59	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM97663 (US8476295, 1.1.01) Show SMILES C(N1C2CCC1CC(C2)Nc1ccc2[nH]ncc2c1)c1ccccc1 |THB:9:7:3.4:1| Show InChI InChI=1S/C21H24N4/c1-2-4-15(5-3-1)14-25-19-7-8-20(25)12-18(11-19)23-17-6-9-21-16(10-17)13-22-24-21/h1-6,9-10,13,18-20,23H,7-8,11-12,14H2,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	72	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM97664 (US8476295, 1.1.02) Show SMILES Cc1ccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)cc1 |THB:14:12:8.9:6| Show InChI InChI=1S/C22H26N4/c1-15-2-4-16(5-3-15)14-26-20-7-8-21(26)12-19(11-20)24-18-6-9-22-17(10-18)13-23-25-22/h2-6,9-10,13,19-21,24H,7-8,11-12,14H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	91	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM97667 (US8476295, 2.1.01) Show SMILES C(N1C2CCC1CC(C2)Nc1cccc2[nH]ncc12)c1ccccc1 |THB:9:7:3.4:1| Show InChI InChI=1S/C23H25N3/c1-2-5-17(6-3-1)16-26-20-9-10-21(26)14-19(13-20)25-23-8-4-7-18-15-24-12-11-22(18)23/h1-8,11-12,15,19-21,25H,9-10,13-14,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	806	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM97668 (US8476295, 3.1.01) Show SMILES C(N1CC2CCC1C2Nc1ccc2[nH]ncc2c1)c1ccccc1 |TLB:0:1:5.4:7,8:7:1.2:5.4| Show InChI InChI=1S/C20H22N4/c1-2-4-14(5-3-1)12-24-13-15-6-9-19(24)20(15)22-17-7-8-18-16(10-17)11-21-23-18/h1-5,7-8,10-11,15,19-20,22H,6,9,12-13H2,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	976	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Inspire US Patent					Assay Description Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).				US Patent US8476295 (2013) BindingDB Entry DOI: 10.7270/Q2H993TS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM362931 (US9849138, 5) Show SMILES CN1c2c(Cl)cccc2C(=O)NC(Cc2ccc(cc2)-c2ccncc2)C1=O Show InChI InChI=1S/C22H18ClN3O2/c1-26-20-17(3-2-4-18(20)23)21(27)25-19(22(26)28)13-14-5-7-15(8-6-14)16-9-11-24-12-10-16/h2-12,19H,13H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description In a final reaction volume of 25 μL, ROCK-I (h, amino acids 17-535) (5-10 mU) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 μM KEAKE...				US Patent US9849138 (2017) BindingDB Entry DOI: 10.7270/Q2WH2S95
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM362926 (US9849138, 2) Show SMILES CN1c2ccc(Cl)cc2C(=O)N[C@@](C)(Cc2ccc(cc2)-c2ccncc2)C1=O |r| Show InChI InChI=1S/C23H20ClN3O2/c1-23(14-15-3-5-16(6-4-15)17-9-11-25-12-10-17)22(29)27(2)20-8-7-18(24)13-19(20)21(28)26-23/h3-13H,14H2,1-2H3,(H,26,28)/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description In a final reaction volume of 25 μL, ROCK-I (h, amino acids 17-535) (5-10 mU) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 μM KEAKE...				US Patent US9849138 (2017) BindingDB Entry DOI: 10.7270/Q2WH2S95
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM362930 (US9849138, 4) Show SMILES CN1c2ccccc2C(=O)NC(Cc2ccc(cc2)-c2ccncc2)C1=O Show InChI InChI=1S/C22H19N3O2/c1-25-20-5-3-2-4-18(20)21(26)24-19(22(25)27)14-15-6-8-16(9-7-15)17-10-12-23-13-11-17/h2-13,19H,14H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description In a final reaction volume of 25 μL, ROCK-I (h, amino acids 17-535) (5-10 mU) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 μM KEAKE...				US Patent US9849138 (2017) BindingDB Entry DOI: 10.7270/Q2WH2S95
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM362925 (US9849138, 1) Show SMILES CN1c2ccc(Cl)cc2C(=O)NC(Cc2ccc(cc2)-c2ccncc2)C1=O Show InChI InChI=1S/C22H18ClN3O2/c1-26-20-7-6-17(23)13-18(20)21(27)25-19(22(26)28)12-14-2-4-15(5-3-14)16-8-10-24-11-9-16/h2-11,13,19H,12H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description In a final reaction volume of 25 μL, ROCK-I (h, amino acids 17-535) (5-10 mU) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 μM KEAKE...				US Patent US9849138 (2017) BindingDB Entry DOI: 10.7270/Q2WH2S95
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 [17-535] (Homo Sapiens (Human))	BDBM362928 (US9849138, 3) Show SMILES CN1c2cccc(Cl)c2C(=O)NC(Cc2ccc(cc2)-c2ccncc2)C1=O Show InChI InChI=1S/C22H18ClN3O2/c1-26-19-4-2-3-17(23)20(19)21(27)25-18(22(26)28)13-14-5-7-15(8-6-14)16-9-11-24-12-10-16/h2-12,18H,13H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description In a final reaction volume of 25 μL, ROCK-I (h, amino acids 17-535) (5-10 mU) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 μM KEAKE...				US Patent US9849138 (2017) BindingDB Entry DOI: 10.7270/Q2WH2S95
					More data for this Ligand-Target Pair