Compile Data Set for Download or QSAR

Found 227 hits with Last Name = 'diaz' and Initial = 'e'   

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
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50458766 (CHEMBL4212386) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1ccc(C(=O)N[C@@H](CC(O)=O)C(O)=O)c(OCC)c1 |r| Show InChI InChI=1S/C30H40N4O11/c1-4-7-8-9-19(22(5-2)34(43)17-35)27(38)31-16-32-29(40)24-13-12-23(45-24)18-10-11-20(25(14-18)44-6-3)28(39)33-21(30(41)42)15-26(36)37/h10-14,17,19,21-22,43H,4-9,15-16H2,1-3H3,(H,31,38)(H,32,40)(H,33,39)(H,36,37)(H,41,42)/t19-,21+,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	0.00680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to BMP1 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate preincubated for 3 hrs followed by subs...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tolloid-like protein 1 (Homo sapiens)	BDBM50458766 (CHEMBL4212386) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1ccc(C(=O)N[C@@H](CC(O)=O)C(O)=O)c(OCC)c1 |r| Show InChI InChI=1S/C30H40N4O11/c1-4-7-8-9-19(22(5-2)34(43)17-35)27(38)31-16-32-29(40)24-13-12-23(45-24)18-10-11-20(25(14-18)44-6-3)28(39)33-21(30(41)42)15-26(36)37/h10-14,17,19,21-22,43H,4-9,15-16H2,1-3H3,(H,31,38)(H,32,40)(H,33,39)(H,36,37)(H,41,42)/t19-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to TLL1 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate incubated for 3.5 hrs followed by subst...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tolloid-like protein 2 (Homo sapiens)	BDBM50458766 (CHEMBL4212386) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1ccc(C(=O)N[C@@H](CC(O)=O)C(O)=O)c(OCC)c1 |r| Show InChI InChI=1S/C30H40N4O11/c1-4-7-8-9-19(22(5-2)34(43)17-35)27(38)31-16-32-29(40)24-13-12-23(45-24)18-10-11-20(25(14-18)44-6-3)28(39)33-21(30(41)42)15-26(36)37/h10-14,17,19,21-22,43H,4-9,15-16H2,1-3H3,(H,31,38)(H,32,40)(H,33,39)(H,36,37)(H,41,42)/t19-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to TLL2 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate incubated for 3.5 hrs followed by subst...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50458771 (CHEMBL4214046) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1cc(OCC)cc(c1)P(O)(O)=O |r| Show InChI InChI=1S/C25H36N3O9P/c1-4-7-8-9-20(21(5-2)28(32)16-29)24(30)26-15-27-25(31)23-11-10-22(37-23)17-12-18(36-6-3)14-19(13-17)38(33,34)35/h10-14,16,20-21,32H,4-9,15H2,1-3H3,(H,26,30)(H,27,31)(H2,33,34,35)/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to BMP1 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate preincubated for 3 hrs followed by subs...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair
Tolloid-like protein 1 (Homo sapiens)	BDBM50458771 (CHEMBL4214046) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1cc(OCC)cc(c1)P(O)(O)=O |r| Show InChI InChI=1S/C25H36N3O9P/c1-4-7-8-9-20(21(5-2)28(32)16-29)24(30)26-15-27-25(31)23-11-10-22(37-23)17-12-18(36-6-3)14-19(13-17)38(33,34)35/h10-14,16,20-21,32H,4-9,15H2,1-3H3,(H,26,30)(H,27,31)(H2,33,34,35)/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to TLL1 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate incubated for 3.5 hrs followed by subst...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair
Tolloid-like protein 2 (Homo sapiens)	BDBM50458771 (CHEMBL4214046) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1cc(OCC)cc(c1)P(O)(O)=O |r| Show InChI InChI=1S/C25H36N3O9P/c1-4-7-8-9-20(21(5-2)28(32)16-29)24(30)26-15-27-25(31)23-11-10-22(37-23)17-12-18(36-6-3)14-19(13-17)38(33,34)35/h10-14,16,20-21,32H,4-9,15H2,1-3H3,(H,26,30)(H,27,31)(H2,33,34,35)/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to TLL2 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate incubated for 3.5 hrs followed by subst...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9911 (3-Phenyl-7-(4-biphenylmethoxy)-2-[(4-pyridylmethyl...) Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc(cc3)-c3ccccc3)ccc12 Show InChI InChI=1S/C34H25NO3S/c36-33-30-16-15-29(37-22-24-11-13-27(14-12-24)26-7-3-1-4-8-26)21-31(30)38-34(32(33)28-9-5-2-6-10-28)39-23-25-17-19-35-20-18-25/h1-21H,22-23H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	39	-44.0	79	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				Bioorg Med Chem 13: 6571-7 (2005) Article DOI: 10.1016/j.bmc.2005.07.038 BindingDB Entry DOI: 10.7270/Q2PK0DCK
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9903 (3-Phenyl-7-(beta-naphthylmethoxy)-2-[(4-pyridylmet...) Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc4ccccc4c3)ccc12 Show InChI InChI=1S/C32H23NO3S/c34-31-28-13-12-27(35-20-23-10-11-24-6-4-5-9-26(24)18-23)19-29(28)36-32(30(31)25-7-2-1-3-8-25)37-21-22-14-16-33-17-15-22/h1-19H,20-21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	74	-42.3	90	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				Bioorg Med Chem 13: 6571-7 (2005) Article DOI: 10.1016/j.bmc.2005.07.038 BindingDB Entry DOI: 10.7270/Q2PK0DCK
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9902 (3-Phenyl-7-(alpha-naphthylmethoxy)-2-[(4-pyridylme...) Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3cccc4ccccc34)ccc12 Show InChI InChI=1S/C32H23NO3S/c34-31-28-14-13-26(35-20-25-11-6-10-23-7-4-5-12-27(23)25)19-29(28)36-32(30(31)24-8-2-1-3-9-24)37-21-22-15-17-33-18-16-22/h1-19H,20-21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	114	-41.2	112	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				Bioorg Med Chem 13: 6571-7 (2005) Article DOI: 10.1016/j.bmc.2005.07.038 BindingDB Entry DOI: 10.7270/Q2PK0DCK
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9460 (3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...) Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.41E+3	-34.7	2.80E+3	n/a	n/a	n/a	n/a	7.0	37
Ohio State University					Assay Description Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...				Bioorg Med Chem 13: 6571-7 (2005) Article DOI: 10.1016/j.bmc.2005.07.038 BindingDB Entry DOI: 10.7270/Q2PK0DCK
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451322 (CHEMBL4210026) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C18H21N3O/c1-20-11-4-6-14(20)10-13-22-19-18-15-7-2-3-8-16(15)21-12-5-9-17(18)21/h2-3,5,7-9,12,14H,4,6,10-11,13H2,1H3/b19-18+	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451338 (CHEMBL4207673) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@@H](C1)NC)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C32H44ClN3O4/c1-4-22-9-5-10-23(19-22)29-27(12-6-13-28(29)33)32(39,16-8-17-35-31(38)40-3)25-11-7-18-36(21-25)30(37)24-14-15-26(20-24)34-2/h5-6,9-10,12-13,19,24-26,34,39H,4,7-8,11,14-18,20-21H2,1-3H3,(H,35,38)/t24-,25-,26+,32?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451337 (CHEMBL4204601) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@H](N)C1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C31H42FN3O4/c1-3-21-8-4-9-22(18-21)28-26(11-5-12-27(28)32)31(38,15-7-16-34-30(37)39-2)24-10-6-17-35(20-24)29(36)23-13-14-25(33)19-23/h4-5,8-9,11-12,18,23-25,38H,3,6-7,10,13-17,19-20,33H2,1-2H3,(H,34,37)/t23-,24-,25+,31?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451325 (CHEMBL4202424) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C13H15N3OS/c1-15(2)7-8-17-14-12-10-4-3-6-16(10)11-5-9-18-13(11)12/h3-6,9H,7-8H2,1-2H3/b14-12-	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451321 (CHEMBL4211388) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCNC)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C20H21N3OS/c1-15-14-25-20-18(17-9-6-10-23(17)19(15)20)21-24-12-11-22(2)13-16-7-4-3-5-8-16/h3-10,14H,11-13H2,1-2H3/b21-18-	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50458764 (CHEMBL4209125) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1ccc(C(O)=O)c(OCC)c1 |r| Show InChI InChI=1S/C26H35N3O8/c1-4-7-8-9-18(20(5-2)29(35)16-30)24(31)27-15-28-25(32)22-13-12-21(37-22)17-10-11-19(26(33)34)23(14-17)36-6-3/h10-14,16,18,20,35H,4-9,15H2,1-3H3,(H,27,31)(H,28,32)(H,33,34)/t18-,20-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal 6His/flag-tagged BMP1 (121 to 721 residues) expressed in CHO cells using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50458775 (CHEMBL4218415) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1cc(OCC)cc(c1)C(=O)N[C@@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C30H40N4O11/c1-4-7-8-9-21(23(5-2)34(43)17-35)28(39)31-16-32-29(40)25-11-10-24(45-25)18-12-19(14-20(13-18)44-6-3)27(38)33-22(30(41)42)15-26(36)37/h10-14,17,21-23,43H,4-9,15-16H2,1-3H3,(H,31,39)(H,32,40)(H,33,38)(H,36,37)(H,41,42)/t21-,22+,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50458774 (CHEMBL4202714) Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H27N3O7/c1-2-3-4-5-17(12-25(31)14-26)20(27)23-13-24-21(28)19-11-10-18(32-19)15-6-8-16(9-7-15)22(29)30/h6-11,14,17,31H,2-5,12-13H2,1H3,(H,23,27)(H,24,28)(H,29,30)/t17-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal 6His/flag-tagged BMP1 (121 to 721 residues) expressed in CHO cells using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50458765 (CHEMBL4205697) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1ccc(c(OCC)c1)P(O)(O)=O |r| Show InChI InChI=1S/C25H36N3O9P/c1-4-7-8-9-18(19(5-2)28(32)16-29)24(30)26-15-27-25(31)21-12-11-20(37-21)17-10-13-23(38(33,34)35)22(14-17)36-6-3/h10-14,16,18-19,32H,4-9,15H2,1-3H3,(H,26,30)(H,27,31)(H2,33,34,35)/t18-,19-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal 6His/flag-tagged BMP1 (121 to 721 residues) expressed in CHO cells using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50458773 (CHEMBL4204567) Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1cccc(OCC)c1 |r| Show InChI InChI=1S/C23H31N3O6/c1-3-5-6-8-18(14-26(30)16-27)22(28)24-15-25-23(29)21-12-11-20(32-21)17-9-7-10-19(13-17)31-4-2/h7,9-13,16,18,30H,3-6,8,14-15H2,1-2H3,(H,24,28)(H,25,29)/t18-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal 6His/flag-tagged BMP1 (121 to 721 residues) expressed in CHO cells using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50458771 (CHEMBL4214046) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1cc(OCC)cc(c1)P(O)(O)=O |r| Show InChI InChI=1S/C25H36N3O9P/c1-4-7-8-9-20(21(5-2)28(32)16-29)24(30)26-15-27-25(31)23-11-10-22(37-23)17-12-18(36-6-3)14-19(13-17)38(33,34)35/h10-14,16,20-21,32H,4-9,15H2,1-3H3,(H,26,30)(H,27,31)(H2,33,34,35)/t20-,21-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal 6His/flag-tagged BMP1 (121 to 721 residues) expressed in CHO cells using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50458766 (CHEMBL4212386) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1ccc(C(=O)N[C@@H](CC(O)=O)C(O)=O)c(OCC)c1 |r| Show InChI InChI=1S/C30H40N4O11/c1-4-7-8-9-19(22(5-2)34(43)17-35)27(38)31-16-32-29(40)24-13-12-23(45-24)18-10-11-20(25(14-18)44-6-3)28(39)33-21(30(41)42)15-26(36)37/h10-14,17,19,21-22,43H,4-9,15-16H2,1-3H3,(H,31,38)(H,32,40)(H,33,39)(H,36,37)(H,41,42)/t19-,21+,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal 6His/flag-tagged BMP1 (121 to 721 residues) expressed in CHO cells using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50458763 (CHEMBL4202848) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1cc(OCC)cc(c1)C(O)=O |r| Show InChI InChI=1S/C26H35N3O8/c1-4-7-8-9-20(21(5-2)29(35)16-30)24(31)27-15-28-25(32)23-11-10-22(37-23)17-12-18(26(33)34)14-19(13-17)36-6-3/h10-14,16,20-21,35H,4-9,15H2,1-3H3,(H,27,31)(H,28,32)(H,33,34)/t20-,21-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal 6His/flag-tagged BMP1 (121 to 721 residues) expressed in CHO cells using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451334 (CHEMBL4213138) Show SMILES [H][C@]1(CCCN(C1)C(=O)C[C@H](O)CN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C29H40FN3O5/c1-3-20-8-4-9-21(16-20)27-24(11-5-12-25(27)30)29(37,13-7-14-32-28(36)38-2)22-10-6-15-33(19-22)26(35)17-23(34)18-31/h4-5,8-9,11-12,16,22-23,34,37H,3,6-7,10,13-15,17-19,31H2,1-2H3,(H,32,36)/t22-,23+,29?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451314 (CHEMBL4207648) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCNC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C15H16ClN3O/c1-18(2)8-9-20-17-15-12-10-11(16)5-6-13(12)19-7-3-4-14(15)19/h3-7,10H,8-9H2,1-2H3/b17-15+	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451328 (CHEMBL4211697) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC1CCNCC1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C32H44FN3O4/c1-3-23-8-4-9-25(20-23)30-27(11-5-12-28(30)33)32(39,15-7-16-35-31(38)40-2)26-10-6-19-36(22-26)29(37)21-24-13-17-34-18-14-24/h4-5,8-9,11-12,20,24,26,34,39H,3,6-7,10,13-19,21-22H2,1-2H3,(H,35,38)/t26-,32?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451318 (CHEMBL4218098) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC1CNCCO1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C17H21N3OS/c1-12-11-22-17-15(14-6-4-9-20(14)16(12)17)18-21-10-7-13-5-3-8-19(13)2/h4,6,9,11,13H,3,5,7-8,10H2,1-2H3/b18-15-	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451322 (CHEMBL4210026) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C18H21N3O/c1-20-11-4-6-14(20)10-13-22-19-18-15-7-2-3-8-16(15)21-12-5-9-17(18)21/h2-3,5,7-9,12,14H,4,6,10-11,13H2,1H3/b19-18+	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451329 (CHEMBL4212429) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC1CCCNC1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C32H44FN3O4/c1-3-23-9-4-11-25(19-23)30-27(13-5-14-28(30)33)32(39,15-8-17-35-31(38)40-2)26-12-7-18-36(22-26)29(37)20-24-10-6-16-34-21-24/h4-5,9,11,13-14,19,24,26,34,39H,3,6-8,10,12,15-18,20-22H2,1-2H3,(H,35,38)/t24?,26-,32?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451320 (CHEMBL4216413) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC(O)CN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C18H17N3OS/c1-12-4-6-13(7-5-12)14-11-23-18-16(20-22-10-8-19)15-3-2-9-21(15)17(14)18/h2-7,9,11H,8,10,19H2,1H3/b20-16-	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	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451319 (CHEMBL4212859) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC(O)CNC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C16H19N3OS/c1-12-11-21-16-14(13-5-4-8-19(13)15(12)16)17-20-10-9-18-6-2-3-7-18/h4-5,8,11H,2-3,6-7,9-10H2,1H3/b17-14-	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	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451331 (CHEMBL4217145) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCCN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C30H42FN3O4/c1-3-22-10-6-11-23(20-22)28-25(13-7-14-26(28)31)30(37,16-9-18-33-29(36)38-2)24-12-8-19-34(21-24)27(35)15-4-5-17-32/h6-7,10-11,13-14,20,24,37H,3-5,8-9,12,15-19,21,32H2,1-2H3,(H,33,36)/t24-,30?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451317 (CHEMBL4202961) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCNCCO)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C12H13N3OS/c1-8-7-17-12-10(14-16-6-4-13)9-3-2-5-15(9)11(8)12/h2-3,5,7H,4,6,13H2,1H3/b14-10-	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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451340 (CHEMBL4214937) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@H](N)C1)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C31H42ClN3O4/c1-3-21-8-4-9-22(18-21)28-26(11-5-12-27(28)32)31(38,15-7-16-34-30(37)39-2)24-10-6-17-35(20-24)29(36)23-13-14-25(33)19-23/h4-5,8-9,11-12,18,23-25,38H,3,6-7,10,13-17,19-20,33H2,1-2H3,(H,34,37)/t23-,24-,25+,31?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451323 (CHEMBL4215302) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCCCN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C19H19N3OS/c1-14-13-24-19-17(16-8-5-10-22(16)18(14)19)21-23-11-9-20-12-15-6-3-2-4-7-15/h2-8,10,13,20H,9,11-12H2,1H3/b21-17-	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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451312 (CHEMBL4209674) Show SMILES [H][C@]1(CCCN(C1)C(=O)NCCN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C15H19N3OS/c1-11-10-20-15-13(16-19-9-5-7-17(2)3)12-6-4-8-18(12)14(11)15/h4,6,8,10H,5,7,9H2,1-3H3/b16-13-	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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451337 (CHEMBL4204601) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@H](N)C1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C31H42FN3O4/c1-3-21-8-4-9-22(18-21)28-26(11-5-12-27(28)32)31(38,15-7-16-34-30(37)39-2)24-10-6-17-35(20-24)29(36)23-13-14-25(33)19-23/h4-5,8-9,11-12,18,23-25,38H,3,6-7,10,13-17,19-20,33H2,1-2H3,(H,34,37)/t23-,24-,25+,31?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451338 (CHEMBL4207673) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@@H](C1)NC)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C32H44ClN3O4/c1-4-22-9-5-10-23(19-22)29-27(12-6-13-28(29)33)32(39,16-8-17-35-31(38)40-3)25-11-7-18-36(21-25)30(37)24-14-15-26(20-24)34-2/h5-6,9-10,12-13,19,24-26,34,39H,4,7-8,11,14-18,20-21H2,1-3H3,(H,35,38)/t24-,25-,26+,32?/m1/s1	PDB MMDB Reactome pathway 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451339 (CHEMBL4210995) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC(CNC)OC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C31H44FN3O5/c1-5-22-10-6-11-23(18-22)29-26(13-7-14-27(29)32)31(38,15-9-16-34-30(37)40-4)24-12-8-17-35(21-24)28(36)19-25(39-3)20-33-2/h6-7,10-11,13-14,18,24-25,33,38H,5,8-9,12,15-17,19-21H2,1-4H3,(H,34,37)/t24-,25?,31?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50576323 (CHEMBL4866146) Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2n(ncc2c1)-c1cccc(F)c1 |r,wU:7.10,wD:4.3,(17.72,-11.38,;16.96,-12.72,;18.5,-12.71,;16.96,-14.26,;15.63,-11.95,;15.63,-10.41,;14.29,-9.63,;12.97,-10.41,;12.97,-11.95,;14.29,-12.71,;11.64,-9.64,;10.3,-10.41,;8.97,-9.65,;10.31,-11.95,;11.65,-12.72,;11.65,-14.27,;10.31,-15.04,;10,-16.55,;8.46,-16.72,;7.83,-15.31,;8.97,-14.27,;8.98,-12.72,;11.03,-17.69,;10.55,-19.15,;11.59,-20.29,;13.09,-19.97,;13.56,-18.5,;15.07,-18.17,;12.53,-17.36,)| 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	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HPGDS assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128113 BindingDB Entry DOI: 10.7270/Q2B28047
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451330 (CHEMBL4217427) Show SMILES [H][C@]1(CCCN(C1)C(=O)NCCNC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C29H41FN4O4/c1-4-21-9-5-10-22(19-21)26-24(12-6-13-25(26)30)29(37,14-8-15-33-28(36)38-3)23-11-7-18-34(20-23)27(35)32-17-16-31-2/h5-6,9-10,12-13,19,23,31,37H,4,7-8,11,14-18,20H2,1-3H3,(H,32,35)(H,33,36)/t23-,29?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451311 (CHEMBL4213141) Show SMILES [H][C@]1(CCCN(C1)C(=O)C1CCNCC1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C13H13N3O/c14-7-9-17-15-13-10-4-1-2-5-11(10)16-8-3-6-12(13)16/h1-6,8H,7,9,14H2/b15-13+	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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451326 (CHEMBL4215948) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC[C@@H](N)CO)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C30H42FN3O5/c1-3-21-8-4-9-22(18-21)28-25(11-5-12-26(28)31)30(38,15-7-16-33-29(37)39-2)23-10-6-17-34(19-23)27(36)14-13-24(32)20-35/h4-5,8-9,11-12,18,23-24,35,38H,3,6-7,10,13-17,19-20,32H2,1-2H3,(H,33,37)/t23-,24-,30?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50576316 (CHEMBL4870703) Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1F |r,wU:7.10,wD:4.3,(2.16,-11.57,;2.98,-12.88,;3.7,-11.51,;1.68,-13.7,;4.35,-13.61,;4.4,-15.15,;5.77,-15.87,;7.07,-15.05,;7.01,-13.51,;5.65,-12.79,;8.44,-15.77,;9.74,-14.95,;9.68,-13.41,;11.1,-15.66,;11.16,-17.2,;12.51,-17.92,;13.81,-17.1,;15.29,-17.52,;16.15,-16.25,;15.2,-15.04,;13.76,-15.57,;12.4,-14.84,;17.68,-16.19,;18.5,-17.5,;20.03,-17.44,;20.76,-16.08,;19.93,-14.77,;18.39,-14.83,;17.57,-13.53,)| 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	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HPGDS assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128113 BindingDB Entry DOI: 10.7270/Q2B28047
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50458758 (CHEMBL4207907) Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C22H27N3O7/c1-2-3-4-6-17(12-25(31)14-26)20(27)23-13-24-21(28)19-10-9-18(32-19)15-7-5-8-16(11-15)22(29)30/h5,7-11,14,17,31H,2-4,6,12-13H2,1H3,(H,23,27)(H,24,28)(H,29,30)/t17-/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	8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal 6His/flag-tagged BMP1 (121 to 721 residues) expressed in CHO cells using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451340 (CHEMBL4214937) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@H](N)C1)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C31H42ClN3O4/c1-3-21-8-4-9-22(18-21)28-26(11-5-12-27(28)32)31(38,15-7-16-34-30(37)39-2)24-10-6-17-35(20-24)29(36)23-13-14-25(33)19-23/h4-5,8-9,11-12,18,23-25,38H,3,6-7,10,13-17,19-20,33H2,1-2H3,(H,34,37)/t23-,24-,25+,31?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50576314 (CHEMBL4864805) Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1 |r,wU:7.10,wD:4.3,(2.48,-1.86,;3.3,-3.17,;4.02,-1.8,;2,-3.99,;4.67,-3.9,;4.72,-5.44,;6.09,-6.16,;7.39,-5.34,;7.33,-3.8,;5.97,-3.08,;8.76,-6.06,;10.06,-5.24,;10,-3.7,;11.42,-5.96,;11.48,-7.5,;12.83,-8.21,;14.13,-7.39,;15.61,-7.81,;16.46,-6.54,;15.52,-5.33,;14.08,-5.86,;12.72,-5.13,;18,-6.48,;18.81,-7.79,;20.35,-7.73,;21.08,-6.37,;20.25,-5.06,;18.71,-5.12,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HPGDS assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128113 BindingDB Entry DOI: 10.7270/Q2B28047
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50576324 (CHEMBL4868339) Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2n(ccc2c1)-c1cccc(F)c1 |r,wU:7.10,wD:4.3,(32.28,-11.78,;31.52,-13.11,;33.06,-13.1,;31.53,-14.65,;30.2,-12.34,;30.2,-10.8,;28.86,-10.03,;27.54,-10.8,;27.53,-12.34,;28.86,-13.11,;26.2,-10.04,;24.87,-10.81,;23.54,-10.04,;24.88,-12.35,;26.21,-13.11,;26.22,-14.66,;24.88,-15.44,;24.56,-16.95,;23.03,-17.12,;22.39,-15.7,;23.54,-14.67,;23.55,-13.12,;25.6,-18.09,;25.12,-19.55,;26.15,-20.69,;27.66,-20.37,;28.13,-18.89,;29.63,-18.56,;27.09,-17.76,)| 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	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HPGDS assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128113 BindingDB Entry DOI: 10.7270/Q2B28047
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50576322 (CHEMBL4859922) Show SMILES CC(C)(O)[C@@H]1CC[C@H](CO1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1F |r| 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	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HPGDS assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128113 BindingDB Entry DOI: 10.7270/Q2B28047
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451325 (CHEMBL4202424) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C13H15N3OS/c1-15(2)7-8-17-14-12-10-4-3-6-16(10)11-5-9-18-13(11)12/h3-6,9H,7-8H2,1-2H3/b14-12-	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	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair

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