Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'mueller' and Initial = 'bk'   

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
cGMP-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of PKG1A (unknown origin) incubated for 2 hrs by AbbVie kinase panel assay				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) incubated for 2 hrs by AbbVie kinase panel assay				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506950 (CHEMBL4434688) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC(CN)CC1)-c1ccncc1 |r| Show InChI InChI=1S/C27H32N4O2/c1-19(22-4-3-5-24(16-22)33-2)30-27(32)25-7-6-23(21-8-12-29-13-9-21)17-26(25)31-14-10-20(18-28)11-15-31/h3-9,12-13,16-17,19-20H,10-11,14-15,18,28H2,1-2H3,(H,30,32)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of ROCK1 (unknown origin) incubated for 2 hrs by AbbVie kinase panel assay				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506946 (CHEMBL4472858) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1F |r| Show InChI InChI=1S/C21H19FN2O2/c1-14(17-4-3-5-18(12-17)26-2)24-21(25)16-8-6-15(7-9-16)19-10-11-23-13-20(19)22/h3-14H,1-2H3,(H,24,25)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506950 (CHEMBL4434688) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC(CN)CC1)-c1ccncc1 |r| Show InChI InChI=1S/C27H32N4O2/c1-19(22-4-3-5-24(16-22)33-2)30-27(32)25-7-6-23(21-8-12-29-13-9-21)17-26(25)31-14-10-20(18-28)11-15-31/h3-9,12-13,16-17,19-20H,10-11,14-15,18,28H2,1-2H3,(H,30,32)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506933 (CHEMBL4536833) Show SMILES Oc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C19H16N2O2/c22-18-3-1-2-14(12-18)13-21-19(23)17-6-4-15(5-7-17)16-8-10-20-11-9-16/h1-12,22H,13H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506954 (CHEMBL4583341) Show SMILES COc1cccc(c1)[C@@H](CCN1CCCC1)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C26H29N3O2/c1-31-24-6-4-5-23(19-24)25(13-18-29-16-2-3-17-29)28-26(30)22-9-7-20(8-10-22)21-11-14-27-15-12-21/h4-12,14-15,19,25H,2-3,13,16-18H2,1H3,(H,28,30)/t25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506925 (CHEMBL4469316) Show SMILES COc1cccc(c1)[C@@H](CCO)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C22H22N2O3/c1-27-20-4-2-3-19(15-20)21(11-14-25)24-22(26)18-7-5-16(6-8-18)17-9-12-23-13-10-17/h2-10,12-13,15,21,25H,11,14H2,1H3,(H,24,26)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506939 (CHEMBL4459077) Show SMILES O=C(N[C@H](CCN1CCCC1)c1ccccc1)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C25H27N3O/c29-25(23-10-8-20(9-11-23)21-12-15-26-16-13-21)27-24(22-6-2-1-3-7-22)14-19-28-17-4-5-18-28/h1-3,6-13,15-16,24H,4-5,14,17-19H2,(H,27,29)/t24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506946 (CHEMBL4472858) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1F |r| Show InChI InChI=1S/C21H19FN2O2/c1-14(17-4-3-5-18(12-17)26-2)24-21(25)16-8-6-15(7-9-16)19-10-11-23-13-20(19)22/h3-14H,1-2H3,(H,24,25)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of ROCK1/2 in human PANC1 cells assessed as reduction in MYPT1 phosphorylation after 1 hr by ELISA				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506945 (CHEMBL4474946) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(N)c1 |r| Show InChI InChI=1S/C21H21N3O2/c1-14(17-4-3-5-19(12-17)26-2)24-21(25)16-8-6-15(7-9-16)18-10-11-23-20(22)13-18/h3-14H,1-2H3,(H2,22,23)(H,24,25)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506929 (CHEMBL4553926) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCCN)-c1ccncc1 |r| Show InChI InChI=1S/C24H28N4O2/c1-17(19-5-3-6-21(15-19)30-2)28-24(29)22-8-7-20(18-9-13-26-14-10-18)16-23(22)27-12-4-11-25/h3,5-10,13-17,27H,4,11-12,25H2,1-2H3,(H,28,29)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506931 (CHEMBL4465725) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC[C@@H](CN)C1)-c1ccncn1 |r| Show InChI InChI=1S/C26H31N5O2/c1-18(20-6-3-7-22(13-20)33-2)30-26(32)23-9-8-21(24-10-11-28-17-29-24)14-25(23)31-12-4-5-19(15-27)16-31/h3,6-11,13-14,17-19H,4-5,12,15-16,27H2,1-2H3,(H,30,32)/t18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506921 (CHEMBL4459800) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r| Show InChI InChI=1S/C21H19FN2O2/c1-14(17-4-3-5-19(12-17)26-2)24-21(25)16-8-6-15(7-9-16)18-10-11-23-20(22)13-18/h3-14H,1-2H3,(H,24,25)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506954 (CHEMBL4583341) Show SMILES COc1cccc(c1)[C@@H](CCN1CCCC1)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C26H29N3O2/c1-31-24-6-4-5-23(19-24)25(13-18-29-16-2-3-17-29)28-26(30)22-9-7-20(8-10-22)21-11-14-27-15-12-21/h4-12,14-15,19,25H,2-3,13,16-18H2,1H3,(H,28,30)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506928 (CHEMBL4469434) Show SMILES CCCOc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C23H24N2O2/c1-3-15-27-22-6-4-5-21(16-22)17(2)25-23(26)20-9-7-18(8-10-20)19-11-13-24-14-12-19/h4-14,16-17H,3,15H2,1-2H3,(H,25,26)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506951 (CHEMBL4557041) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC[C@H](CN)C1)-c1ccncn1 |r| Show InChI InChI=1S/C26H31N5O2/c1-18(20-6-3-7-22(13-20)33-2)30-26(32)23-9-8-21(24-10-11-28-17-29-24)14-25(23)31-12-4-5-19(15-27)16-31/h3,6-11,13-14,17-19H,4-5,12,15-16,27H2,1-2H3,(H,30,32)/t18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506933 (CHEMBL4536833) Show SMILES Oc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C19H16N2O2/c22-18-3-1-2-14(12-18)13-21-19(23)17-6-4-15(5-7-17)16-8-10-20-11-9-16/h1-12,22H,13H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506932 (CHEMBL2006299) Show SMILES COc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C20H18N2O2/c1-24-19-4-2-3-15(13-19)14-22-20(23)18-7-5-16(6-8-18)17-9-11-21-12-10-17/h2-13H,14H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506956 (CHEMBL4555093) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCCCN)-c1ccncc1 |r| Show InChI InChI=1S/C25H30N4O2/c1-18(20-6-5-7-22(16-20)31-2)29-25(30)23-9-8-21(19-10-14-27-15-11-19)17-24(23)28-13-4-3-12-26/h5-11,14-18,28H,3-4,12-13,26H2,1-2H3,(H,29,30)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506941 (CHEMBL4572198) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCN)-c1ccncc1 |r| Show InChI InChI=1S/C23H26N4O2/c1-16(18-4-3-5-20(14-18)29-2)27-23(28)21-7-6-19(15-22(21)26-13-10-24)17-8-11-25-12-9-17/h3-9,11-12,14-16,26H,10,13,24H2,1-2H3,(H,27,28)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506917 (CHEMBL4460511) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncn1 |r| Show InChI InChI=1S/C20H19N3O2/c1-14(17-4-3-5-18(12-17)25-2)23-20(24)16-8-6-15(7-9-16)19-10-11-21-13-22-19/h3-14H,1-2H3,(H,23,24)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506926 (CHEMBL4436197) Show SMILES COc1cccc(c1)[C@@H](CCN1CCOCC1)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r| Show InChI InChI=1S/C26H28FN3O3/c1-32-23-4-2-3-22(17-23)24(10-12-30-13-15-33-16-14-30)29-26(31)20-7-5-19(6-8-20)21-9-11-28-25(27)18-21/h2-9,11,17-18,24H,10,12-16H2,1H3,(H,29,31)/t24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506944 (CHEMBL4463301) Show SMILES O=C(NCc1cccc2OCCCOc12)c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C22H20N2O3/c25-22(18-7-5-16(6-8-18)17-9-11-23-12-10-17)24-15-19-3-1-4-20-21(19)27-14-2-13-26-20/h1,3-12H,2,13-15H2,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506914 (CHEMBL4522042) Show SMILES O=C(NCc1cccc2OCCOc12)c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C21H18N2O3/c24-21(17-6-4-15(5-7-17)16-8-10-22-11-9-16)23-14-18-2-1-3-19-20(18)26-13-12-25-19/h1-11H,12-14H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506925 (CHEMBL4469316) Show SMILES COc1cccc(c1)[C@@H](CCO)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C22H22N2O3/c1-27-20-4-2-3-19(15-20)21(11-14-25)24-22(26)18-7-5-16(6-8-18)17-9-12-23-13-10-17/h2-10,12-13,15,21,25H,11,14H2,1H3,(H,24,26)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506939 (CHEMBL4459077) Show SMILES O=C(N[C@H](CCN1CCCC1)c1ccccc1)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C25H27N3O/c29-25(23-10-8-20(9-11-23)21-12-15-26-16-13-21)27-24(22-6-2-1-3-7-22)14-19-28-17-4-5-18-28/h1-3,6-13,15-16,24H,4-5,14,17-19H2,(H,27,29)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50506928 (CHEMBL4469434) Show SMILES CCCOc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C23H24N2O2/c1-3-15-27-22-6-4-5-21(16-22)17(2)25-23(26)20-9-7-18(8-10-20)19-11-13-24-14-12-19/h4-14,16-17H,3,15H2,1-2H3,(H,25,26)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of ROCK1/2 in human PANC1 cells assessed as reduction in MYPT1 phosphorylation after 1 hr by ELISA				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506947 (CHEMBL4556370) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(NCC2CC2)c1 |r| Show InChI InChI=1S/C25H27N3O2/c1-17(21-4-3-5-23(14-21)30-2)28-25(29)20-10-8-19(9-11-20)22-12-13-26-24(15-22)27-16-18-6-7-18/h3-5,8-15,17-18H,6-7,16H2,1-2H3,(H,26,27)(H,28,29)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506930 (CHEMBL4585481) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCCCN)-c1ccncn1 |r| Show InChI InChI=1S/C24H29N5O2/c1-17(18-6-5-7-20(14-18)31-2)29-24(30)21-9-8-19(22-10-13-26-16-28-22)15-23(21)27-12-4-3-11-25/h5-10,13-17,27H,3-4,11-12,25H2,1-2H3,(H,29,30)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506913 (CHEMBL4588929) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(NCCCO)c1 |r| Show InChI InChI=1S/C24H27N3O3/c1-17(20-5-3-6-22(15-20)30-2)27-24(29)19-9-7-18(8-10-19)21-11-13-26-23(16-21)25-12-4-14-28/h3,5-11,13,15-17,28H,4,12,14H2,1-2H3,(H,25,26)(H,27,29)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50506932 (CHEMBL2006299) Show SMILES COc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C20H18N2O2/c1-24-19-4-2-3-15(13-19)14-22-20(23)18-7-5-16(6-8-18)17-9-11-21-12-10-17/h2-13H,14H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of ROCK1/2 in human PANC1 cells assessed as reduction in MYPT1 phosphorylation after 1 hr by ELISA				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50506914 (CHEMBL4522042) Show SMILES O=C(NCc1cccc2OCCOc12)c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C21H18N2O3/c24-21(17-6-4-15(5-7-17)16-8-10-22-11-9-16)23-14-18-2-1-3-19-20(18)26-13-12-25-19/h1-11H,12-14H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of C-terminal 4His-tagged CYP3A4 (unknown origin) expressed in Escherichia coli by spectrophotometric analysis				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50506942 (CHEMBL4454552) Show SMILES CCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C21H20N2O2/c1-2-25-20-5-3-4-16(14-20)15-23-21(24)19-8-6-17(7-9-19)18-10-12-22-13-11-18/h3-14H,2,15H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of C-terminal 4His-tagged CYP3A4 (unknown origin) expressed in Escherichia coli by spectrophotometric analysis				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50506920 (CHEMBL4436040) Show SMILES CN(C)CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C24H27N3O2/c1-27(2)15-4-16-29-23-6-3-5-19(17-23)18-26-24(28)22-9-7-20(8-10-22)21-11-13-25-14-12-21/h3,5-14,17H,4,15-16,18H2,1-2H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of C-terminal 4His-tagged CYP2D6 (unknown origin) expressed in Escherichia coli by spectrophotometric analysis				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50506915 (CHEMBL4476761) Show SMILES CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C22H22N2O2/c1-2-14-26-21-5-3-4-17(15-21)16-24-22(25)20-8-6-18(7-9-20)19-10-12-23-13-11-19/h3-13,15H,2,14,16H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of C-terminal 4His-tagged CYP3A4 (unknown origin) expressed in Escherichia coli by spectrophotometric analysis				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of C-terminal 4His-tagged CYP3A4 (unknown origin) expressed in Escherichia coli by spectrophotometric analysis				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506940 (CHEMBL4521871) Show SMILES Fc1cccc(c1)[C@@H](CCN1CCCC1)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r| Show InChI InChI=1S/C25H25F2N3O/c26-22-5-3-4-21(16-22)23(11-15-30-13-1-2-14-30)29-25(31)19-8-6-18(7-9-19)20-10-12-28-24(27)17-20/h3-10,12,16-17,23H,1-2,11,13-15H2,(H,29,31)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506952 (CHEMBL4445356) Show SMILES CCNc1cc(ccn1)-c1ccc(cc1)C(=O)N[C@H](C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C23H25N3O2/c1-4-24-22-15-20(12-13-25-22)17-8-10-18(11-9-17)23(27)26-16(2)19-6-5-7-21(14-19)28-3/h5-16H,4H2,1-3H3,(H,24,25)(H,26,27)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506921 (CHEMBL4459800) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r| Show InChI InChI=1S/C21H19FN2O2/c1-14(17-4-3-5-19(12-17)26-2)24-21(25)16-8-6-15(7-9-16)18-10-11-23-20(22)13-18/h3-14H,1-2H3,(H,24,25)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506920 (CHEMBL4436040) Show SMILES CN(C)CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C24H27N3O2/c1-27(2)15-4-16-29-23-6-3-5-19(17-23)18-26-24(28)22-9-7-20(8-10-22)21-11-13-25-14-12-21/h3,5-14,17H,4,15-16,18H2,1-2H3,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50506915 (CHEMBL4476761) Show SMILES CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C22H22N2O2/c1-2-14-26-21-5-3-4-17(15-21)16-24-22(25)20-8-6-18(7-9-20)19-10-12-23-13-11-19/h3-13,15H,2,14,16H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of C-terminal 4His-tagged CYP2D6 (unknown origin) expressed in Escherichia coli by spectrophotometric analysis				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50506931 (CHEMBL4465725) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC[C@@H](CN)C1)-c1ccncn1 |r| Show InChI InChI=1S/C26H31N5O2/c1-18(20-6-3-7-22(13-20)33-2)30-26(32)23-9-8-21(24-10-11-28-17-29-24)14-25(23)31-12-4-5-19(15-27)16-31/h3,6-11,13-14,17-19H,4-5,12,15-16,27H2,1-2H3,(H,30,32)/t18-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of ROCK1/2 in human PANC1 cells assessed as reduction in MYPT1 phosphorylation after 1 hr by ELISA				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506929 (CHEMBL4553926) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCCN)-c1ccncc1 |r| Show InChI InChI=1S/C24H28N4O2/c1-17(19-5-3-6-21(15-19)30-2)28-24(29)22-8-7-20(18-9-13-26-14-10-18)16-23(22)27-12-4-11-25/h3,5-10,13-17,27H,4,11-12,25H2,1-2H3,(H,28,29)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506936 (CHEMBL4438453) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C22H22N2O2/c1-15-13-20(11-12-23-15)17-7-9-18(10-8-17)22(25)24-16(2)19-5-4-6-21(14-19)26-3/h4-14,16H,1-3H3,(H,24,25)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506945 (CHEMBL4474946) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(N)c1 |r| Show InChI InChI=1S/C21H21N3O2/c1-14(17-4-3-5-19(12-17)26-2)24-21(25)16-8-6-15(7-9-16)18-10-11-23-20(22)13-18/h3-14H,1-2H3,(H2,22,23)(H,24,25)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair

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