Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'urbonas' and Initial = 'l'   

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))	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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597493 (CHEMBL5192610) Show SMILES C[C@@H](NC(=O)N1CCN(C[C@H]1C)c1ccncc1F)c1cccn2nccc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597488 (CHEMBL5180112) Show SMILES COc1ccc(Cl)c(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncc1F |r| Show InChI	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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597489 (CHEMBL5208605) Show SMILES COc1cc(F)cc(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncc1F |r| Show InChI	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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597490 (CHEMBL5199904) Show SMILES COc1cc(ccc1F)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncc1F |r| Show InChI	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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162846 (US9056843, 137) Show SMILES CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H25F3N4O2/c1-4-10-26(11-5-2)12-13(3)23-17(27)15-8-6-14(7-9-15)16-24-18(28-25-16)19(20,21)22/h6-9,13H,4-5,10-12H2,1-3H3,(H,23,27)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597496 (CHEMBL5206259) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncc1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					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	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597473 (CHEMBL5181094) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(nc1)-c1ccncc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597492 (CHEMBL5186165) Show SMILES C[C@@H](NC(=O)N1CCN(C[C@H]1C)c1ccncc1F)c1cccc2nccn12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM162846 (US9056843, 137) Show SMILES CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H25F3N4O2/c1-4-10-26(11-5-2)12-13(3)23-17(27)15-8-6-14(7-9-15)16-24-18(28-25-16)19(20,21)22/h6-9,13H,4-5,10-12H2,1-3H3,(H,23,27)/t13-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597494 (CHEMBL5188032) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccnc(F)c1 |r| Show InChI	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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597485 (CHEMBL5183751) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)N1CCN(CC1)c1ccncc1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597487 (CHEMBL5169406) Show SMILES COc1ccc(F)c(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncc1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597475 (CHEMBL5200987) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)N1CC[C@@H](C[C@H]1C)c1ccncc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50097166 (CHEMBL3580669) Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1 Show InChI InChI=1S/C18H16FN3O3S2/c1-27(24,25)22-15-4-2-3-12(7-15)8-17(23)21-18-10-14(11-26-18)13-5-6-20-16(19)9-13/h2-7,9-11,22H,8H2,1H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM162846 (US9056843, 137) Show SMILES CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H25F3N4O2/c1-4-10-26(11-5-2)12-13(3)23-17(27)15-8-6-14(7-9-15)16-24-18(28-25-16)19(20,21)22/h6-9,13H,4-5,10-12H2,1-3H3,(H,23,27)/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM162846 (US9056843, 137) Show SMILES CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H25F3N4O2/c1-4-10-26(11-5-2)12-13(3)23-17(27)15-8-6-14(7-9-15)16-24-18(28-25-16)19(20,21)22/h6-9,13H,4-5,10-12H2,1-3H3,(H,23,27)/t13-/m1/s1	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	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50097165 (CHEMBL3581146) Show SMILES COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1 Show InChI InChI=1S/C18H15FN2O2S/c1-23-15-4-2-3-12(7-15)8-17(22)21-18-10-14(11-24-18)13-5-6-20-16(19)9-13/h2-7,9-11H,8H2,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
cGMP-dependent 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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597495 (CHEMBL5174891) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50597496 (CHEMBL5206259) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncc1F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597471 (CHEMBL5176687) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(nc1)-c1ccnc(F)c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597491 (CHEMBL5201650) Show SMILES COc1cccc([C@@H](C)NC(=O)N2CCN(C[C@H]2C)c2ccncc2F)c1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	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	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597478 (CHEMBL5209364) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)N1CC[C@H](C[C@H]1C)c1ccncc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
cGMP-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50597473 (CHEMBL5181094) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(nc1)-c1ccncc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597481 (CHEMBL5193152) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)[C@H]1CC[C@@H](C[C@H]1C)c1ccncc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597486 (CHEMBL5187325) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)N1CCC(CC1)c1ccncc1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597470 (CHEMBL5207169) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cn1)-c1ccnc(F)c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597474 (CHEMBL5171140) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)N1CCC(CC1)c1ccncc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50595711 (CHEMBL5172806) Show SMILES CCCN(CCCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50595713 (CHEMBL5208515) Show SMILES CCCN(CCCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50595713 (CHEMBL5208515) Show SMILES CCCN(CCCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50597479 (CHEMBL5184099) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)[C@H]1CC[C@@H](CC1)c1ccncc1 |r,wU:16.20,8.9,wD:13.13,(8.46,.72,;7.68,2.05,;6.14,2.04,;5.37,3.37,;3.83,3.36,;3.06,2.02,;3.84,.7,;5.38,.7,;3.08,-.64,;3.86,-1.97,;1.54,-.65,;.78,-1.99,;1.56,-3.32,;-.76,-2,;-1.54,-.67,;-3.08,-.68,;-3.84,-2.02,;-3.06,-3.35,;-1.52,-3.34,;-5.38,-2.02,;-6.16,-.7,;-7.7,-.7,;-8.46,-2.04,;-7.68,-3.37,;-6.14,-3.36,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50595712 (CHEMBL5199458) Show SMILES CCCN(CCCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50595711 (CHEMBL5172806) Show SMILES CCCN(CCCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50595711 (CHEMBL5172806) Show SMILES CCCN(CCCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM14029 ((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...) Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)| Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50595713 (CHEMBL5208515) Show SMILES CCCN(CCCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI	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	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50595714 (CHEMBL5206361) Show SMILES CCCN(CCCCOCCOCCOCCOCCOCC(=O)N[C@@H](C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50595713 (CHEMBL5208515) Show SMILES CCCN(CCCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50027431 (HYDROXYFASUDIL | Hydroxy-Fasudil) Show SMILES Oc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00474 BindingDB Entry DOI: 10.7270/Q2P2735N
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50595708 (CHEMBL5202426) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCC(F)(F)c2cnc(nc2)-c2ccc(cc2)C(C(=O)NO)c2ccccc2F)C(C)(C)C)cc1 |r| Show InChI	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	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50595707 (CHEMBL5194487) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCC(F)(F)c2cnc(nc2)-c2ccc(cc2)C(C(=O)NO)c2ccccc2F)C(C)(C)C)cc1 |r| Show InChI	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	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50595712 (CHEMBL5199458) Show SMILES CCCN(CCCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50595711 (CHEMBL5172806) Show SMILES CCCN(CCCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI	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	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01149 BindingDB Entry DOI: 10.7270/Q2CC14PT
					More data for this Ligand-Target Pair

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