Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50001595   

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 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using SKT S2 as substrate measured after 30 mins by HTRF assay				J Nat Prod 81: 394-399 (2018) Article DOI: 10.1021/acs.jnatprod.7b01055 BindingDB Entry DOI: 10.7270/Q20P12JW
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50286630 (CHEMBL4159348) Show SMILES [H][C@]12[C@H](O)[C@@H](O)CCN1[C@@H](\C=C(/C)\C=C\C1CC1)[C@H](O)[C@@]2(C)O |r| Show InChI InChI=1S/C17H27NO4/c1-10(3-4-11-5-6-11)9-12-16(21)17(2,22)15-14(20)13(19)7-8-18(12)15/h3-4,9,11-16,19-22H,5-8H2,1-2H3/b4-3+,10-9+/t12-,13-,14+,15+,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using SKT S2 as substrate measured after 30 mins by HTRF assay				J Nat Prod 81: 394-399 (2018) Article DOI: 10.1021/acs.jnatprod.7b01055 BindingDB Entry DOI: 10.7270/Q20P12JW
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50286628 (CHEMBL4160438) Show SMILES C\C(\C=C\C1CC1)=C/[C@H]1[C@H](O)[C@@](C)(O)c2c(O)ccc[n+]12 |r| Show InChI InChI=1S/C17H21NO3/c1-11(5-6-12-7-8-12)10-13-16(20)17(2,21)15-14(19)4-3-9-18(13)15/h3-6,9-10,12-13,16,20-21H,7-8H2,1-2H3/p+1/b6-5+,11-10+/t13-,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using SKT S2 as substrate measured after 30 mins by HTRF assay				J Nat Prod 81: 394-399 (2018) Article DOI: 10.1021/acs.jnatprod.7b01055 BindingDB Entry DOI: 10.7270/Q20P12JW
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50286627 (CHEMBL4176366) Show SMILES [H][C@]12[C@H](O)[C@@H](Cl)CCN1[C@@H](C\C(C)=C/C=C/CCO)[C@H](O)[C@@]2(C)O |r| Show InChI InChI=1S/C17H28ClNO4/c1-11(6-4-3-5-9-20)10-13-16(22)17(2,23)15-14(21)12(18)7-8-19(13)15/h3-4,6,12-16,20-23H,5,7-10H2,1-2H3/b4-3+,11-6-/t12-,13-,14+,15+,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using SKT S2 as substrate measured after 30 mins by HTRF assay				J Nat Prod 81: 394-399 (2018) Article DOI: 10.1021/acs.jnatprod.7b01055 BindingDB Entry DOI: 10.7270/Q20P12JW
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50286632 (CHEMBL4165754) Show SMILES [H][C@]12[C@H](O)[C@@H](Cl)CCN1[C@@H](C\C(C)=C\C=C\CCO)[C@H](O)[C@@]2(C)O |r| Show InChI InChI=1S/C17H28ClNO4/c1-11(6-4-3-5-9-20)10-13-16(22)17(2,23)15-14(21)12(18)7-8-19(13)15/h3-4,6,12-16,20-23H,5,7-10H2,1-2H3/b4-3+,11-6+/t12-,13-,14+,15+,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using SKT S2 as substrate measured after 30 mins by HTRF assay				J Nat Prod 81: 394-399 (2018) Article DOI: 10.1021/acs.jnatprod.7b01055 BindingDB Entry DOI: 10.7270/Q20P12JW
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50286625 (CHEMBL4174482) Show SMILES C\C(\C=C\C1CC1)=C/[C@H]1[C@H](O)[C@@](C)(O)c2cccc[n+]12 |r| Show InChI InChI=1S/C17H22NO2/c1-12(6-7-13-8-9-13)11-14-16(19)17(2,20)15-5-3-4-10-18(14)15/h3-7,10-11,13-14,16,19-20H,8-9H2,1-2H3/q+1/b7-6+,12-11+/t14-,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using SKT S2 as substrate measured after 30 mins by HTRF assay				J Nat Prod 81: 394-399 (2018) Article DOI: 10.1021/acs.jnatprod.7b01055 BindingDB Entry DOI: 10.7270/Q20P12JW
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50286629 (CHEMBL4163816) Show SMILES [H][C@]12[C@H](O)[C@@H](Cl)CCN1[C@@H](\C=C(/C)\C=C\C1CC1)[C@H](O)[C@@]2(C)O |r| Show InChI InChI=1S/C17H26ClNO3/c1-10(3-4-11-5-6-11)9-13-16(21)17(2,22)15-14(20)12(18)7-8-19(13)15/h3-4,9,11-16,20-22H,5-8H2,1-2H3/b4-3+,10-9+/t12-,13-,14+,15+,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using SKT S2 as substrate measured after 30 mins by HTRF assay				J Nat Prod 81: 394-399 (2018) Article DOI: 10.1021/acs.jnatprod.7b01055 BindingDB Entry DOI: 10.7270/Q20P12JW
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50286624 (CHEMBL4171044) Show SMILES [H][C@]12CCCCN1[C@@H](C\C(C)=C\C=C\CCO)[C@H](O)[C@@]2(C)O |r| Show InChI InChI=1S/C17H29NO3/c1-13(8-4-3-7-11-19)12-14-16(20)17(2,21)15-9-5-6-10-18(14)15/h3-4,8,14-16,19-21H,5-7,9-12H2,1-2H3/b4-3+,13-8+/t14-,15+,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using SKT S2 as substrate measured after 30 mins by HTRF assay				J Nat Prod 81: 394-399 (2018) Article DOI: 10.1021/acs.jnatprod.7b01055 BindingDB Entry DOI: 10.7270/Q20P12JW
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50286631 (CHEMBL4167272) Show SMILES [H][C@]12CCCCN1[C@@H](\C=C(/C)\C=C\C1CC1)[C@H](O)[C@@]2(C)O |r| Show InChI InChI=1S/C17H27NO2/c1-12(6-7-13-8-9-13)11-14-16(19)17(2,20)15-5-3-4-10-18(14)15/h6-7,11,13-16,19-20H,3-5,8-10H2,1-2H3/b7-6+,12-11+/t14-,15+,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using SKT S2 as substrate measured after 30 mins by HTRF assay				J Nat Prod 81: 394-399 (2018) Article DOI: 10.1021/acs.jnatprod.7b01055 BindingDB Entry DOI: 10.7270/Q20P12JW
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50286626 (CHEMBL4172688) Show SMILES [H][C@@]12CCN3[C@@H](\C=C(/C)\C=C\C4CC4)[C@H](O)[C@@](C)(O)[C@@]3([H])[C@]1([H])O2 |r| Show InChI InChI=1S/C17H25NO3/c1-10(3-4-11-5-6-11)9-12-16(19)17(2,20)15-14-13(21-14)7-8-18(12)15/h3-4,9,11-16,19-20H,5-8H2,1-2H3/b4-3+,10-9+/t12-,13+,14+,15+,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using SKT S2 as substrate measured after 30 mins by HTRF assay				J Nat Prod 81: 394-399 (2018) Article DOI: 10.1021/acs.jnatprod.7b01055 BindingDB Entry DOI: 10.7270/Q20P12JW
					More data for this Ligand-Target Pair