Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'haura' and Initial = 'eb'   

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
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50102025 (4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAP...) Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1 |t:20| Show InChI InChI=1S/C37H45N4O7P/c38-33(42)22-32-35(44)39-23-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)24-49(46,47)48)21-34(43)41-37(36(45)40-32)18-4-1-5-19-37/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,38,42)(H,39,44)(H,40,45)(H,41,43)(H2,46,47,48)/b11-6+/t26-,29-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-Ahx-PVPePYINQSVPKRK-NH2 from N-terminal His6-tagged human full length GRB2 (1 to 217 residues) expressed in Escherichia coli ass...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128354 BindingDB Entry DOI: 10.7270/Q2CR5Z6S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50580856 (CHEMBL5074481) Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CC(O)=O)cc1 |r,t:20| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-Ahx-PVPePYINQSVPKRK-NH2 from N-terminal His6-tagged human full length GRB2 (1 to 217 residues) expressed in Escherichia coli ass...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128354 BindingDB Entry DOI: 10.7270/Q2CR5Z6S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50139763 (CHEMBL306657 | [(E)-(9S,10S,14S,18S)-18-Carbamoylm...) Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1 |t:24| Show InChI InChI=1S/C39H47N4O9P/c40-34(44)22-33-37(48)41-23-26(20-29-11-7-10-27-9-2-3-12-30(27)29)8-6-13-31(28-16-14-25(15-17-28)24-53(50,51)52)32(21-35(45)46)36(47)43-39(38(49)42-33)18-4-1-5-19-39/h2-3,6-7,9-17,26,31-33H,1,4-5,8,18-24H2,(H2,40,44)(H,41,48)(H,42,49)(H,43,47)(H,45,46)(H2,50,51,52)/b13-6+/t26-,31+,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-fused Grb2-SH2 domain (unknown origin) by ELISA				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128354 BindingDB Entry DOI: 10.7270/Q2CR5Z6S
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50446130 (AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...) Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center & Research Institute					Assay Description Inhibition of PARP1 was assessed using the Universal Chemiluminescent PARPKit. Luminescence readings were normalized to controls and fit to a sigmoid...				Cell Chem Biol 23: 1490-1503 (2016) Article DOI: 10.1016/j.chembiol.2016.10.011 BindingDB Entry DOI: 10.7270/Q2SF2V0B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center & Research Institute					Assay Description Inhibition of PARP1 was assessed using the Universal Chemiluminescent PARPKit. Luminescence readings were normalized to controls and fit to a sigmoid...				Cell Chem Biol 23: 1490-1503 (2016) Article DOI: 10.1016/j.chembiol.2016.10.011 BindingDB Entry DOI: 10.7270/Q2SF2V0B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50580855 (CHEMBL1205233) Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(cc1)C(C(O)=O)C(O)=O |t:24| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Grb2-SH2 domain (unknown origin) by ELISA				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128354 BindingDB Entry DOI: 10.7270/Q2CR5Z6S
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM209931 (c-Rucaparib) Show SMILES CN(CCCN)Cc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI InChI=1S/C22H25FN4O/c1-27(10-2-8-24)13-14-3-5-15(6-4-14)21-17-7-9-25-22(28)18-11-16(23)12-19(26-21)20(17)18/h3-6,11-12,26H,2,7-10,13,24H2,1H3,(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center & Research Institute					Assay Description Inhibition of PARP1 was assessed using the Universal Chemiluminescent PARPKit. Luminescence readings were normalized to controls and fit to a sigmoid...				Cell Chem Biol 23: 1490-1503 (2016) Article DOI: 10.1016/j.chembiol.2016.10.011 BindingDB Entry DOI: 10.7270/Q2SF2V0B
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM209930 (c-Olaparib) Show SMILES NCCCC(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C24H26FN5O3/c25-20-8-7-16(15-21-17-4-1-2-5-18(17)23(32)28-27-21)14-19(20)24(33)30-12-10-29(11-13-30)22(31)6-3-9-26/h1-2,4-5,7-8,14H,3,6,9-13,15,26H2,(H,28,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center & Research Institute					Assay Description Inhibition of PARP1 was assessed using the Universal Chemiluminescent PARPKit. Luminescence readings were normalized to controls and fit to a sigmoid...				Cell Chem Biol 23: 1490-1503 (2016) Article DOI: 10.1016/j.chembiol.2016.10.011 BindingDB Entry DOI: 10.7270/Q2SF2V0B
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM209933 (c-Veliparib) Show SMILES C[C@@]1(CCCN1CCCN)c1nc2c(cccc2[nH]1)C(N)=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center & Research Institute					Assay Description Inhibition of PARP1 was assessed using the Universal Chemiluminescent PARPKit. Luminescence readings were normalized to controls and fit to a sigmoid...				Cell Chem Biol 23: 1490-1503 (2016) Article DOI: 10.1016/j.chembiol.2016.10.011 BindingDB Entry DOI: 10.7270/Q2SF2V0B
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM209932 (2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-...) Show SMILES C[C@@]1(CCCN1)c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	10.3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center & Research Institute					Assay Description Inhibition of PARP1 was assessed using the Universal Chemiluminescent PARPKit. Luminescence readings were normalized to controls and fit to a sigmoid...				Cell Chem Biol 23: 1490-1503 (2016) Article DOI: 10.1016/j.chembiol.2016.10.011 BindingDB Entry DOI: 10.7270/Q2SF2V0B
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316226 ((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	11.7	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center & Research Institute					Assay Description Inhibition of PARP1 was assessed using the Universal Chemiluminescent PARPKit. Luminescence readings were normalized to controls and fit to a sigmoid...				Cell Chem Biol 23: 1490-1503 (2016) Article DOI: 10.1016/j.chembiol.2016.10.011 BindingDB Entry DOI: 10.7270/Q2SF2V0B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50102025 (4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAP...) Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1 |t:20| Show InChI InChI=1S/C37H45N4O7P/c38-33(42)22-32-35(44)39-23-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)24-49(46,47)48)21-34(43)41-37(36(45)40-32)18-4-1-5-19-37/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,38,42)(H,39,44)(H,40,45)(H,41,43)(H2,46,47,48)/b11-6+/t26-,29-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Grb2-SH2 domain (unknown origin) by ELISA				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128354 BindingDB Entry DOI: 10.7270/Q2CR5Z6S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50085867 (2-(4-((S)-3-(1-((S)-4-amino-1-(3-(naphthalen-1-yl)...) Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(cc1)C(C(O)=O)C(O)=O)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12 |r| Show InChI InChI=1S/C38H43N5O11/c39-29(44)21-28(31(45)40-19-7-11-24-10-6-9-23-8-2-3-12-26(23)24)42-37(54)38(17-4-1-5-18-38)43-32(46)27(41-33(47)36(52)53)20-22-13-15-25(16-14-22)30(34(48)49)35(50)51/h2-3,6,8-10,12-16,27-28,30H,1,4-5,7,11,17-21H2,(H2,39,44)(H,40,45)(H,41,47)(H,42,54)(H,43,46)(H,48,49)(H,50,51)(H,52,53)/t27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Grb2-SH2 domain (unknown origin) by ELISA				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128354 BindingDB Entry DOI: 10.7270/Q2CR5Z6S
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50072862 (CHEMBL117807 | Phosphoric acid mono-[4-((S)-2-acet...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc1cccc2ccccc12 Show InChI InChI=1S/C35H44N5O9P/c1-23(41)38-29(21-24-14-16-27(17-15-24)49-50(46,47)48)33(44)40-35(18-5-2-6-19-35)34(45)39-30(22-31(36)42)32(43)37-20-8-12-26-11-7-10-25-9-3-4-13-28(25)26/h3-4,7,9-11,13-17,29-30H,2,5-6,8,12,18-22H2,1H3,(H2,36,42)(H,37,43)(H,38,41)(H,39,45)(H,40,44)(H2,46,47,48)/t29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-fused human Grb2-SH2 domain expressed in Escherichia coli by plate reader analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128354 BindingDB Entry DOI: 10.7270/Q2CR5Z6S
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM209929 (c-Niraparib) Show SMILES NCCCN1CCC[C@H](C1)c1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1 |r| Show InChI InChI=1S/C22H27N5O/c23-11-3-13-26-12-2-5-17(14-26)16-7-9-19(10-8-16)27-15-18-4-1-6-20(22(24)28)21(18)25-27/h1,4,6-10,15,17H,2-3,5,11-14,23H2,(H2,24,28)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48.4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center & Research Institute					Assay Description Inhibition of PARP1 was assessed using the Universal Chemiluminescent PARPKit. Luminescence readings were normalized to controls and fit to a sigmoid...				Cell Chem Biol 23: 1490-1503 (2016) Article DOI: 10.1016/j.chembiol.2016.10.011 BindingDB Entry DOI: 10.7270/Q2SF2V0B
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382684 (CHEMBL2023158 | US9409868, 24) Show SMILES OC[C@@H](NC(=O)Nc1ccc(cc1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C20H19N3O2/c24-14-19(17-4-2-1-3-5-17)23-20(25)22-18-8-6-15(7-9-18)16-10-12-21-13-11-16/h1-13,19,24H,14H2,(H2,22,23,25)/t19-/m1/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	100	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382685 (CHEMBL2023156 | US9409868, 22) Show SMILES O=C(NCc1ccccc1)Nc1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C19H17N3O/c23-19(21-14-15-4-2-1-3-5-15)22-18-8-6-16(7-9-18)17-10-12-20-13-11-17/h1-13H,14H2,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50102025 (4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAP...) Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1 |t:20| Show InChI InChI=1S/C37H45N4O7P/c38-33(42)22-32-35(44)39-23-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)24-49(46,47)48)21-34(43)41-37(36(45)40-32)18-4-1-5-19-37/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,38,42)(H,39,44)(H,40,45)(H,41,43)(H2,46,47,48)/b11-6+/t26-,29-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-Ahx-PVPePYINQSVPKRK-NH2 from N-terminal His6-tagged human full length GRB2 (1 to 217 residues) expressed in Escherichia coli by ...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128354 BindingDB Entry DOI: 10.7270/Q2CR5Z6S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50382686 (CHEMBL2023154 | US9409868, 18) Show SMILES O=C(NCCc1ccccc1)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C16H16N4O/c21-16(17-9-8-12-4-2-1-3-5-12)19-14-6-7-15-13(10-14)11-18-20-15/h1-7,10-11H,8-9H2,(H,18,20)(H2,17,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382686 (CHEMBL2023154 | US9409868, 18) Show SMILES O=C(NCCc1ccccc1)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C16H16N4O/c21-16(17-9-8-12-4-2-1-3-5-12)19-14-6-7-15-13(10-14)11-18-20-15/h1-7,10-11H,8-9H2,(H,18,20)(H2,17,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50580856 (CHEMBL5074481) Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CC(O)=O)cc1 |r,t:20| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-Ahx-PVPePYINQSVPKRK-NH2 from N-terminal His6-tagged human full length GRB2 (1 to 217 residues) expressed in Escherichia coli by ...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128354 BindingDB Entry DOI: 10.7270/Q2CR5Z6S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382687 (CHEMBL2023152 | US9409868, 16) Show SMILES COc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C17H18N4O2/c1-23-15-5-2-12(3-6-15)8-9-18-17(22)20-14-4-7-16-13(10-14)11-19-21-16/h2-7,10-11H,8-9H2,1H3,(H,19,21)(H2,18,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382688 (CHEMBL2023155 | US9409868, 19) Show SMILES O=C(NCCCc1ccccc1)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C17H18N4O/c22-17(18-10-4-7-13-5-2-1-3-6-13)20-15-8-9-16-14(11-15)12-19-21-16/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,19,21)(H2,18,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382689 (CHEMBL2023153 | US9409868, 17) Show SMILES Clc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C16H15ClN4O/c17-13-3-1-11(2-4-13)7-8-18-16(22)20-14-5-6-15-12(9-14)10-19-21-15/h1-6,9-10H,7-8H2,(H,19,21)(H2,18,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50382685 (CHEMBL2023156 | US9409868, 22) Show SMILES O=C(NCc1ccccc1)Nc1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C19H17N3O/c23-19(21-14-15-4-2-1-3-5-15)22-18-8-6-16(7-9-18)17-10-12-20-13-11-17/h1-13H,14H2,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50382690 (CHEMBL2023160 | US9409868, 26) Show SMILES OC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H21N3O2/c25-15-20(14-16-4-2-1-3-5-16)24-21(26)23-19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,25H,14-15H2,(H2,23,24,26)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382691 (CHEMBL2023151 | US9409868, 15) Show SMILES OC(CNC(=O)Nc1ccc2[nH]ncc2c1)c1ccccc1 Show InChI InChI=1S/C16H16N4O2/c21-15(11-4-2-1-3-5-11)10-17-16(22)19-13-6-7-14-12(8-13)9-18-20-14/h1-9,15,21H,10H2,(H,18,20)(H2,17,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50382684 (CHEMBL2023158 | US9409868, 24) Show SMILES OC[C@@H](NC(=O)Nc1ccc(cc1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C20H19N3O2/c24-14-19(17-4-2-1-3-5-17)23-20(25)22-18-8-6-15(7-9-18)16-10-12-21-13-11-16/h1-13,19,24H,14H2,(H2,22,23,25)/t19-/m1/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	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50382689 (CHEMBL2023153 | US9409868, 17) Show SMILES Clc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C16H15ClN4O/c17-13-3-1-11(2-4-13)7-8-18-16(22)20-14-5-6-15-12(9-14)10-19-21-15/h1-6,9-10H,7-8H2,(H,19,21)(H2,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382692 (CHEMBL2023150) Show SMILES OC[C@H](Cc1ccccc1)NC(=O)Nc1ccc2[nH]ncc2c1 |r| Show InChI InChI=1S/C17H18N4O2/c22-11-15(8-12-4-2-1-3-5-12)20-17(23)19-14-6-7-16-13(9-14)10-18-21-16/h1-7,9-10,15,22H,8,11H2,(H,18,21)(H2,19,20,23)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50382688 (CHEMBL2023155 | US9409868, 19) Show SMILES O=C(NCCCc1ccccc1)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C17H18N4O/c22-17(18-10-4-7-13-5-2-1-3-6-13)20-15-8-9-16-14(11-15)12-19-21-16/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,19,21)(H2,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50382687 (CHEMBL2023152 | US9409868, 16) Show SMILES COc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C17H18N4O2/c1-23-15-5-2-12(3-6-15)8-9-18-17(22)20-14-4-7-16-13(10-14)11-19-21-16/h2-7,10-11H,8-9H2,1H3,(H,19,21)(H2,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50382693 (CHEMBL2023159 | US9409868, 25) Show SMILES O=C(NCCc1ccccc1)Nc1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C20H19N3O/c24-20(22-15-10-16-4-2-1-3-5-16)23-19-8-6-17(7-9-19)18-11-13-21-14-12-18/h1-9,11-14H,10,15H2,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50382691 (CHEMBL2023151 | US9409868, 15) Show SMILES OC(CNC(=O)Nc1ccc2[nH]ncc2c1)c1ccccc1 Show InChI InChI=1S/C16H16N4O2/c21-15(11-4-2-1-3-5-11)10-17-16(22)19-13-6-7-14-12(8-13)9-18-20-14/h1-9,15,21H,10H2,(H,18,20)(H2,17,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50382692 (CHEMBL2023150) Show SMILES OC[C@H](Cc1ccccc1)NC(=O)Nc1ccc2[nH]ncc2c1 |r| Show InChI InChI=1S/C17H18N4O2/c22-11-15(8-12-4-2-1-3-5-12)20-17(23)19-14-6-7-16-13(9-14)10-18-21-16/h1-7,9-10,15,22H,8,11H2,(H,18,21)(H2,19,20,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382690 (CHEMBL2023160 | US9409868, 26) Show SMILES OC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H21N3O2/c25-15-20(14-16-4-2-1-3-5-16)24-21(26)23-19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,25H,14-15H2,(H2,23,24,26)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50196697 (1-benzyl-3-(1H-indazol-5-yl)urea | CHEMBL225282 | ...) Show SMILES O=C(NCc1ccccc1)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C15H14N4O/c20-15(16-9-11-4-2-1-3-5-11)18-13-6-7-14-12(8-13)10-17-19-14/h1-8,10H,9H2,(H,17,19)(H2,16,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382694 (CHEMBL2023149 | US9409868, 13) Show SMILES CN(CCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C17H18N4O/c1-21(10-9-13-5-3-2-4-6-13)17(22)19-15-7-8-16-14(11-15)12-18-20-16/h2-8,11-12H,9-10H2,1H3,(H,18,20)(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382695 (CHEMBL2023157 | US9409868, 23) Show SMILES OC[C@H](NC(=O)Nc1ccc(cc1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C20H19N3O2/c24-14-19(17-4-2-1-3-5-17)23-20(25)22-18-8-6-15(7-9-18)16-10-12-21-13-11-16/h1-13,19,24H,14H2,(H2,22,23,25)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50060523 (CHEMBL118574 | Phosphoric acid mono-(4-{(S)-2-acet...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O Show InChI InChI=1S/C21H32N5O9P/c1-4-11(2)18(21(31)25-15(19(23)29)10-17(22)28)26-20(30)16(24-12(3)27)9-13-5-7-14(8-6-13)35-36(32,33)34/h5-8,11,15-16,18H,4,9-10H2,1-3H3,(H2,22,28)(H2,23,29)(H,24,27)(H,25,31)(H,26,30)(H2,32,33,34)/t11-,15-,16-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-fused human Grb2-SH2 domain expressed in Escherichia coli by plate reader analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128354 BindingDB Entry DOI: 10.7270/Q2CR5Z6S
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50382695 (CHEMBL2023157 | US9409868, 23) Show SMILES OC[C@H](NC(=O)Nc1ccc(cc1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C20H19N3O2/c24-14-19(17-4-2-1-3-5-17)23-20(25)22-18-8-6-15(7-9-18)16-10-12-21-13-11-16/h1-13,19,24H,14H2,(H2,22,23,25)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50196697 (1-benzyl-3-(1H-indazol-5-yl)urea | CHEMBL225282 | ...) Show SMILES O=C(NCc1ccccc1)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C15H14N4O/c20-15(16-9-11-4-2-1-3-5-11)18-13-6-7-14-12(8-13)10-17-19-14/h1-8,10H,9H2,(H,17,19)(H2,16,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
GDH/6PGL endoplasmic bifunctional protein (Homo sapiens (Human))	BDBM50446130 (AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...) Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center & Research Institute					Assay Description HEK293 H6PD-OE and HEK293 pellets were lysed and the lysate was quantified with the Bradford protein assay. Reaction mix containing galactose-6-phosp...				Cell Chem Biol 23: 1490-1503 (2016) Article DOI: 10.1016/j.chembiol.2016.10.011 BindingDB Entry DOI: 10.7270/Q2SF2V0B
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382693 (CHEMBL2023159 | US9409868, 25) Show SMILES O=C(NCCc1ccccc1)Nc1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C20H19N3O/c24-20(22-15-10-16-4-2-1-3-5-16)23-19-8-6-17(7-9-19)18-11-13-21-14-12-18/h1-9,11-14H,10,15H2,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50580857 (CHEMBL5088383) Show SMILES COC(=O)Cc1ccc(cc1)[C@@H]1CC(=O)NC2(CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H](Cc2cccc3ccccc23)C\C=C\1 |r,t:51| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-Ahx-PVPePYINQSVPKRK-NH2 from N-terminal His6-tagged human full length GRB2 (1 to 217 residues) expressed in Escherichia coli by ...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128354 BindingDB Entry DOI: 10.7270/Q2CR5Z6S
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50382694 (CHEMBL2023149 | US9409868, 13) Show SMILES CN(CCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C17H18N4O/c1-21(10-9-13-5-3-2-4-6-13)17(22)19-15-7-8-16-14(11-15)12-18-20-16/h2-8,11-12H,9-10H2,1H3,(H,18,20)(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50382696 (CHEMBL2023161 | US9409868, 27) Show SMILES OC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H21N3O2/c25-15-20(14-16-4-2-1-3-5-16)24-21(26)23-19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,25H,14-15H2,(H2,23,24,26)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382696 (CHEMBL2023161 | US9409868, 27) Show SMILES OC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C21H21N3O2/c25-15-20(14-16-4-2-1-3-5-16)24-21(26)23-19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,25H,14-15H2,(H2,23,24,26)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382697 (CHEMBL2023147 | US9409868, 10) Show SMILES CN(C)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C10H12N4O/c1-14(2)10(15)12-8-3-4-9-7(5-8)6-11-13-9/h3-6H,1-2H3,(H,11,13)(H,12,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50246684 (CHEMBL503641 | N-(1H-indazol-5-yl)acetamide) Show SMILES CC(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C9H9N3O/c1-6(13)11-8-2-3-9-7(4-8)5-10-12-9/h2-5H,1H3,(H,10,12)(H,11,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair

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