Compile Data Set for Download or QSAR

Found 333 hits with Last Name = 'dale' and Initial = 'i'   

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
Neurotensin receptor type 1 (Rattus norvegicus)	BDBM50248034 (2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-ph...) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:38:37:35:31.32.33,39:29:35:31.32.33,28:29:31.38.32:36.34.35,THB:38:32:29.37.36:35,39:29:31.38.32:36.34.35,28:29:35:31.32.33,33:32:29:36.34.35,33:34:29:31.38.32,(-7.63,.4,;-6.3,-.36,;-6.29,-1.9,;-7.62,-2.68,;-7.62,-4.22,;-6.29,-4.99,;-4.95,-4.22,;-3.61,-4.99,;-3.61,-6.53,;-4.95,-2.67,;-3.63,-1.9,;-2.22,-2.52,;-1.19,-1.37,;-1.97,-.04,;-3.47,-.36,;-4.62,.66,;-6.08,.17,;-7.22,1.19,;-6.91,2.71,;-5.45,3.19,;-5.14,4.69,;-3.68,5.16,;-3.37,6.67,;-2.53,4.14,;-2.85,2.64,;-4.31,2.16,;.35,-1.53,;.98,-2.93,;1.24,-.27,;2.78,-.43,;3.43,1.2,;4.84,1.23,;6.02,2.07,;5.46,3.5,;3.95,3.52,;2.87,2.58,;3.44,1.99,;4.02,.52,;5.54,.51,;3.42,-1.84,;2.51,-3.09,;4.95,-2,)| Show InChI InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Durham University Curated by ChEMBL					Assay Description Displacement of [125I]NT from rat NTR1 transfected in mouse LTK cells				Bioorg Med Chem 21: 4378-87 (2013) Article DOI: 10.1016/j.bmc.2013.04.075 BindingDB Entry DOI: 10.7270/Q27M09B6
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM17950 ((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM17989 (1,4-benzoxazin-3-one, 26 | N-{2-[6-(2,4-diamino-6-...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCNC(C)=O)c2c1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C25H26F2N6O3/c1-4-18-21(22(28)32-24(29)31-18)14-5-6-20-19(9-14)33(8-7-30-13(2)34)23(35)25(3,36-20)15-10-16(26)12-17(27)11-15/h5-6,9-12H,4,7-8H2,1-3H3,(H,30,34)(H4,28,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50023342 (CHEMBL3334567) Show SMILES C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(nc12)-c1cnn(C)c1 |r| Show InChI InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-Met phosphorylation at Tyr 1234/Tyr1235 residues in human NCI-H1993 cells incubated for 4 hrs by HTRF assay				ACS Med Chem Lett 10: 1322-1327 (2019) Article DOI: 10.1021/acsmedchemlett.9b00276 BindingDB Entry DOI: 10.7270/Q27W6GKF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal NH-tagged and avi-tagged dephosphorylated c-MET D1228V mutant (956 to 1390 residues) (unknown origin) expressed in sf21 cell...				ACS Med Chem Lett 10: 1322-1327 (2019) Article DOI: 10.1021/acsmedchemlett.9b00276 BindingDB Entry DOI: 10.7270/Q27W6GKF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated c-MET (956 to 1390 residues) (unknown origin) expressed in sf21 cells us...				ACS Med Chem Lett 10: 1322-1327 (2019) Article DOI: 10.1021/acsmedchemlett.9b00276 BindingDB Entry DOI: 10.7270/Q27W6GKF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28031 (BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...) Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1 Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal NH-tagged and avi-tagged dephosphorylated c-MET D1228V mutant (956 to 1390 residues) (unknown origin) expressed in sf21 cell...				ACS Med Chem Lett 10: 1322-1327 (2019) Article DOI: 10.1021/acsmedchemlett.9b00276 BindingDB Entry DOI: 10.7270/Q27W6GKF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28031 (BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...) Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1 Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated c-MET (956 to 1390 residues) (unknown origin) expressed in sf21 cells us...				ACS Med Chem Lett 10: 1322-1327 (2019) Article DOI: 10.1021/acsmedchemlett.9b00276 BindingDB Entry DOI: 10.7270/Q27W6GKF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal NH-tagged and avi-tagged dephosphorylated c-MET D1228V mutant (956 to 1390 residues) (unknown origin) expressed in sf21 cell...				ACS Med Chem Lett 10: 1322-1327 (2019) Article DOI: 10.1021/acsmedchemlett.9b00276 BindingDB Entry DOI: 10.7270/Q27W6GKF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50023342 (CHEMBL3334567) Show SMILES C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(nc12)-c1cnn(C)c1 |r| Show InChI InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated c-MET (956 to 1390 residues) (unknown origin) expressed in sf21 cells us...				ACS Med Chem Lett 10: 1322-1327 (2019) Article DOI: 10.1021/acsmedchemlett.9b00276 BindingDB Entry DOI: 10.7270/Q27W6GKF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated c-MET (956 to 1390 residues) (unknown origin) expressed in sf21 cells us...				ACS Med Chem Lett 10: 1322-1327 (2019) Article DOI: 10.1021/acsmedchemlett.9b00276 BindingDB Entry DOI: 10.7270/Q27W6GKF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM17950 ((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584925 (CHEMBL5079885) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11| 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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-ATAD2 BD (981 to 1108 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50330347 (6-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-(3,5-difl...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCCOC)c2c1)c1cc(F)cc(F)c1 |w:15.16| Show InChI InChI=1S/C25H27F2N5O3/c1-4-18-21(22(28)31-24(29)30-18)14-6-7-20-19(10-14)32(8-5-9-34-3)23(33)25(2,35-20)15-11-16(26)13-17(27)12-15/h6-7,10-13H,4-5,8-9H2,1-3H3,(H4,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair				3D Structure (docked)
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584925 (CHEMBL5079885) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11| 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	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-ATAD2 BD (951 to 1132 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584944 (CHEMBL5087319) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NCCCN2CCCC2)c2nnc(C)n2n1 |r,THB:19:18:11.12.13:3.8.2| Show InChI	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
TBA					Assay Description Inhibition of GST-ATAD2 BD (951 to 1132 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584944 (CHEMBL5087319) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NCCCN2CCCC2)c2nnc(C)n2n1 |r,THB:19:18:11.12.13:3.8.2| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-ATAD2 BD (981 to 1108 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584946 (CHEMBL5090369) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(F)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:11.12.13:3.8.2| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-ATAD2 BD (981 to 1108 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584945 (CHEMBL5093862) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NCCCN2CCC(F)(F)CC2)c2nnc(C)n2n1 |r,THB:19:18:11.12.13:3.8.2| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-ATAD2 BD (981 to 1108 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584945 (CHEMBL5093862) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NCCCN2CCC(F)(F)CC2)c2nnc(C)n2n1 |r,THB:19:18:11.12.13:3.8.2| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-ATAD2 BD (951 to 1132 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM17983 (1,4-benzoxazin-3-one, 20 | N-{2-[6-(2,4-diamino-6-...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C)C(=O)N(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H26N6O3/c1-5-13-16(17(21)25-19(22)24-13)12-6-7-15-14(10-12)26(9-8-23-11(2)27)18(28)20(3,4)29-15/h6-7,10H,5,8-9H2,1-4H3,(H,23,27)(H4,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank 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
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584946 (CHEMBL5090369) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(F)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:11.12.13:3.8.2| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-ATAD2 BD (951 to 1132 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584941 (CHEMBL5077167) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])(CNC1=O)N2C(=O)c1cc(NC2CCN(C)CC2)c2nnc(C)n2n1 |r,THB:16:15:11.12.13:3.8.2| 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	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-ATAD2 BD (981 to 1108 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584943 (CHEMBL5086059) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])(CNC1=O)N2C(=O)c1cc(NCCCN2CCCC2)c2nnc(C)n2n1 |r,THB:16:15:11.12.13:3.8.2| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-ATAD2 BD (981 to 1108 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584943 (CHEMBL5086059) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])(CNC1=O)N2C(=O)c1cc(NCCCN2CCCC2)c2nnc(C)n2n1 |r,THB:16:15:11.12.13:3.8.2| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-ATAD2 BD (951 to 1132 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50549946 (CHEMBL4796908) Show SMILES Fc1ccccc1Cc1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1 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	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells using poly (G...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00392 BindingDB Entry DOI: 10.7270/Q20C50DP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50268115 (CHEMBL4080664) Show SMILES CCc1nc(N)cc(OC)c1-c1ccc2OC(C)(C)C(=O)N(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H28N4O4/c1-6-15-20(18(29-5)12-19(23)25-15)14-7-8-17-16(11-14)26(10-9-24-13(2)27)21(28)22(3,4)30-17/h7-8,11-12H,6,9-10H2,1-5H3,(H2,23,25)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18011 ((2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2O[C@](C)(C(=O)N(CCCC(F)(F)F)c2c1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C25H24F5N5O2/c1-3-17-20(21(31)34-23(32)33-17)13-5-6-19-18(9-13)35(8-4-7-25(28,29)30)22(36)24(2,37-19)14-10-15(26)12-16(27)11-14/h5-6,9-12H,3-4,7-8H2,1-2H3,(H4,31,32,33,34)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair				3D Structure (docked)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50549945 (CHEMBL4784342) Show SMILES C(c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1)c1ccccc1 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	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells using poly (G...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00392 BindingDB Entry DOI: 10.7270/Q20C50DP
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Mus musculus)	BDBM50109783 (3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...) Show SMILES COc1cc2CCN(CCn3c(nc4c(OC)cccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC Show InChI InChI=1S/C30H34N4O4/c1-32(2)23-11-9-20(10-12-23)29-31-28-24(7-6-8-25(28)36-3)30(35)34(29)16-15-33-14-13-21-17-26(37-4)27(38-5)18-22(21)19-33/h6-12,17-18H,13-16,19H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.				Bioorg Med Chem Lett 12: 571-4 (2002) BindingDB Entry DOI: 10.7270/Q2PV6JP9
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584925 (CHEMBL5079885) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11| 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	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Halo-tagged Histone H3.3 from Nanoluc-ATAD2 BD (962 to 1119 residues) (unknown origin) transfected in human HCT116 cells incubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50268089 (CHEMBL4075401) Show SMILES CCc1nc(N)cc(C)c1-c1ccc(F)c2c(C)c(CCOC)[nH]c12 |(16.59,-20.94,;17.92,-21.71,;17.92,-23.25,;16.59,-24.02,;16.59,-25.56,;15.25,-26.33,;17.92,-26.33,;19.26,-25.56,;20.59,-26.33,;19.26,-24.02,;20.59,-23.25,;20.59,-21.71,;21.92,-20.94,;23.25,-21.71,;24.59,-20.94,;23.25,-23.25,;24.4,-24.28,;25.9,-23.96,;23.77,-25.69,;24.54,-27.02,;26.08,-27.02,;26.85,-28.35,;28.39,-28.35,;22.24,-25.53,;21.92,-24.02,)| Show InChI InChI=1S/C20H24FN3O/c1-5-15-18(11(2)10-17(22)23-15)13-6-7-14(21)19-12(3)16(8-9-25-4)24-20(13)19/h6-7,10,24H,5,8-9H2,1-4H3,(H2,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50549947 (CHEMBL4749560) Show SMILES Fc1cccc(Cc2c[nH]c3ncc(cc23)-c2cnn(c2)C2CCNCC2)c1 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	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells using poly (G...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00392 BindingDB Entry DOI: 10.7270/Q20C50DP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50268114 (CHEMBL4098706) Show SMILES CCc1nc(N)cc(C)c1-c1ccc2OC(C)(C)C(=O)N(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H28N4O3/c1-6-16-20(13(2)11-19(23)25-16)15-7-8-18-17(12-15)26(10-9-24-14(3)27)21(28)22(4,5)29-18/h7-8,11-12H,6,9-10H2,1-5H3,(H2,23,25)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584938 (CHEMBL5086260) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@@H](C)NC1=O)N2C(=O)c1cn(C)c(=O)c2[nH]c3ccc(OC(F)(F)F)cc3c12 |r,THB:17:16:11.13.14:3.8.2| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-ATAD2 BD (951 to 1132 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584925 (CHEMBL5079885) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11| 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	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Halo-tagged Histone H3.3 from Nanoluc-ATAD2 BD (962 to 1119 residues) (unknown origin) transfected in human HCT116 cells incubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584938 (CHEMBL5086260) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@@H](C)NC1=O)N2C(=O)c1cn(C)c(=O)c2[nH]c3ccc(OC(F)(F)F)cc3c12 |r,THB:17:16:11.13.14:3.8.2| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-ATAD2 BD (981 to 1108 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50609348 (CHEMBL5272595) Show SMILES CN([C@@H]1CCCc2c(ccc(C)c12)-c1ccc2c(C)n[nH]c2c1)C(=O)c1ncccc1C(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PDB UniChem	PDB	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584925 (CHEMBL5079885) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11| 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	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Halo-tagged Histone H3.3 from Nanoluc-ATAD2 BD (962 to 1119 residues) (unknown origin) transfected in human HCT116 cells incubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50268120 (CHEMBL4083180) Show SMILES CCc1nc(N)cc(C)c1-c1cc(F)c(F)c2c(C)c(CCOC)[nH]c12 |(16.4,-24.11,;17.74,-24.87,;17.75,-26.41,;16.43,-27.19,;16.44,-28.73,;15.11,-29.52,;17.78,-29.49,;19.11,-28.71,;20.45,-29.47,;19.1,-27.17,;20.42,-26.39,;20.4,-24.85,;21.73,-24.06,;21.72,-22.52,;23.07,-24.82,;24.4,-24.04,;23.09,-26.36,;24.24,-27.38,;25.75,-27.05,;23.63,-28.79,;24.41,-30.12,;25.95,-30.11,;26.74,-31.43,;28.27,-31.42,;22.1,-28.65,;21.76,-27.14,)| Show InChI InChI=1S/C20H23F2N3O/c1-5-14-17(10(2)8-16(23)24-14)12-9-13(21)19(22)18-11(3)15(6-7-26-4)25-20(12)18/h8-9,25H,5-7H2,1-4H3,(H2,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50268117 (CHEMBL4088533) Show SMILES CCc1nc(N)cc(C)c1-c1ccc2OC(C)(C)C(=O)N(CCNC(=O)OC)c2c1 Show InChI InChI=1S/C22H28N4O4/c1-6-15-19(13(2)11-18(23)25-15)14-7-8-17-16(12-14)26(10-9-24-21(28)29-5)20(27)22(3,4)30-17/h7-8,11-12H,6,9-10H2,1-5H3,(H2,23,25)(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584925 (CHEMBL5079885) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11| 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	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Halo-tagged Histone H3.3 from Nanoluc-ATAD2A BD (962 to 1119 residues) (unknown origin) transfected in human HCT116 cells incubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50549948 (CHEMBL4792886) Show SMILES Fc1ccc(Cc2c[nH]c3ncc(cc23)-c2cnn(c2)C2CCNCC2)cc1 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	137	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells using poly (G...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00392 BindingDB Entry DOI: 10.7270/Q20C50DP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM18010 (1,4-benzoxazin-3-one, rac-47 | 6-(2,4-diamino-6-et...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCCC(F)(F)F)c2c1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C25H24F5N5O2/c1-3-17-20(21(31)34-23(32)33-17)13-5-6-19-18(9-13)35(8-4-7-25(28,29)30)22(36)24(2,37-19)14-10-15(26)12-16(27)11-14/h5-6,9-12H,3-4,7-8H2,1-2H3,(H4,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM17983 (1,4-benzoxazin-3-one, 20 | N-{2-[6-(2,4-diamino-6-...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C)C(=O)N(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H26N6O3/c1-5-13-16(17(21)25-19(22)24-13)12-6-7-15-14(10-12)26(9-8-23-11(2)27)18(28)20(3,4)29-15/h6-7,10H,5,8-9H2,1-4H3,(H,23,27)(H4,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50464128 (CHEMBL4206758) Show SMILES CO[C@H]1CNC[C@@H](OCC2CCC(F)(F)CC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C28H35F2N5O3/c1-16-8-19(11-31-10-16)21-12-33-26(24-20(21)9-17(2)27(36)35-24)34-25-22(37-3)13-32-14-23(25)38-15-18-4-6-28(29,30)7-5-18/h8-12,18,22-23,25,32H,4-7,13-15H2,1-3H3,(H,33,34)(H,35,36)/t22-,23+,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Halo-tagged Histone H3.3 from Nanoluc-ATAD2 BD (962 to 1119 residues) (unknown origin) transfected in human HCT116 cells incubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Mus musculus)	BDBM50109790 (5-Chloro-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoqui...) Show SMILES COc1cc2CCN(CCn3c(nc4cccc(Cl)c4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC Show InChI InChI=1S/C29H31ClN4O3/c1-32(2)22-10-8-19(9-11-22)28-31-24-7-5-6-23(30)27(24)29(35)34(28)15-14-33-13-12-20-16-25(36-3)26(37-4)17-21(20)18-33/h5-11,16-17H,12-15,18H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.				Bioorg Med Chem Lett 12: 571-4 (2002) BindingDB Entry DOI: 10.7270/Q2PV6JP9
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50584936 (CHEMBL5074983) Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@@H](C)NC1=O)N2C(=O)c1cn(C)c(=O)c2[nH]c3ccccc3c12 |r,THB:17:16:11.13.14:3.8.2| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-ATAD2 BD (981 to 1108 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50464128 (CHEMBL4206758) Show SMILES CO[C@H]1CNC[C@@H](OCC2CCC(F)(F)CC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C28H35F2N5O3/c1-16-8-19(11-31-10-16)21-12-33-26(24-20(21)9-17(2)27(36)35-24)34-25-22(37-3)13-32-14-23(25)38-15-18-4-6-28(29,30)7-5-18/h8-12,18,22-23,25,32H,4-7,13-15H2,1-3H3,(H,33,34)(H,35,36)/t22-,23+,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Halo-tagged Histone H3.3 from Nanoluc-ATAD2 BD (962 to 1119 residues) (unknown origin) transfected in human HCT116 cells incubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01871 BindingDB Entry DOI: 10.7270/Q2280CH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50599206 (CHEMBL5195379) Show SMILES Cc1cccnc1Nc1nc(ns1)-c1ccc(OC2CC3(C2)CN(C3)C2CC2)cn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00960 BindingDB Entry DOI: 10.7270/Q28D019P
					More data for this Ligand-Target Pair

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