Compile Data Set for Download or QSAR

Found 192 hits with Last Name = 'heitsch' and Initial = 'h'   

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
B2 bradykinin receptor (Cavia porcellus)	BDBM50075000 ((E)-N-({[4-Chloro-2-cyano-3-(2-methyl-quinolin-8-y...) Show SMILES COc1cccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2C#N)c1 Show InChI InChI=1S/C31H27ClN4O4/c1-20-10-12-22-7-5-9-28(31(22)35-20)40-19-25-24(17-33)27(14-13-26(25)32)36(2)30(38)18-34-29(37)15-11-21-6-4-8-23(16-21)39-3/h4-16H,18-19H2,1-3H3,(H,34,37)/b15-11+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074978 (2-[3-(4-Amino-butyl)-ureido]-N-[4-chloro-2-cyano-3...) Show SMILES CN(C(=O)CNC(=O)NCCCCN)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1C#N Show InChI InChI=1S/C26H29ClN6O3/c1-17-8-9-18-6-5-7-23(25(18)32-17)36-16-20-19(14-29)22(11-10-21(20)27)33(2)24(34)15-31-26(35)30-13-4-3-12-28/h5-11H,3-4,12-13,15-16,28H2,1-2H3,(H2,30,31,35)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of BK-induced (4x10E-8M) contraction of isolated guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074986 ((E)-N-({[4-Chloro-2-cyano-3-(2-methyl-quinolin-8-y...) Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1C#N Show InChI InChI=1S/C31H24ClF3N4O3/c1-19-6-10-21-4-3-5-27(30(21)38-19)42-18-24-23(16-36)26(14-13-25(24)32)39(2)29(41)17-37-28(40)15-9-20-7-11-22(12-8-20)31(33,34)35/h3-15H,17-18H2,1-2H3,(H,37,40)/b15-9+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074997 ((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[4-methoxy-...) Show SMILES COc1ccc(N(C)C(=O)CNC(=O)\C=C\c2ccc(NC(C)=O)nc2)c(SC)c1COc1cccc2ccc(C)nc12 Show InChI InChI=1S/C32H33N5O5S/c1-20-9-12-23-7-6-8-27(31(23)35-20)42-19-24-26(41-4)14-13-25(32(24)43-5)37(3)30(40)18-34-29(39)16-11-22-10-15-28(33-17-22)36-21(2)38/h6-17H,18-19H2,1-5H3,(H,34,39)(H,33,36,38)/b16-11+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of BK-induced (4x10E-8M) contraction of isolated guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074993 ((E)-N-({[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxy...) Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F)c1ccc(C)c(COc2cccc3ccc(C)nc23)c1C Show InChI InChI=1S/C32H30F3N3O3/c1-20-8-16-27(22(3)26(20)19-41-28-7-5-6-24-13-9-21(2)37-31(24)28)38(4)30(40)18-36-29(39)17-12-23-10-14-25(15-11-23)32(33,34)35/h5-17H,18-19H2,1-4H3,(H,36,39)/b17-12+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074982 ((E)-N-({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-y...) Show SMILES COc1cccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4sc(C)nc34)c2Cl)c1 Show InChI InChI=1S/C28H25Cl2N3O4S/c1-17-32-28-23(8-5-9-24(28)38-17)37-16-20-21(29)11-12-22(27(20)30)33(2)26(35)15-31-25(34)13-10-18-6-4-7-19(14-18)36-3/h4-14H,15-16H2,1-3H3,(H,31,34)/b13-10+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074983 ((E)-N-({[2-Chloro-4-methoxy-3-(2-methyl-quinolin-8...) Show SMILES COc1ccc(N(C)C(=O)CNC(=O)\C=C\c2ccc(cc2)C(F)(F)F)c(Cl)c1COc1cccc2ccc(C)nc12 Show InChI InChI=1S/C31H27ClF3N3O4/c1-19-7-11-21-5-4-6-26(30(21)37-19)42-18-23-25(41-3)15-14-24(29(23)32)38(2)28(40)17-36-27(39)16-10-20-8-12-22(13-9-20)31(33,34)35/h4-16H,17-18H2,1-3H3,(H,36,39)/b16-10+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074984 ((E)-N-({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-y...) Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(C)cc1)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl Show InChI InChI=1S/C28H25Cl2N3O3S/c1-17-7-9-19(10-8-17)11-14-25(34)31-15-26(35)33(3)22-13-12-21(29)20(27(22)30)16-36-23-5-4-6-24-28(23)32-18(2)37-24/h4-14H,15-16H2,1-3H3,(H,31,34)/b14-11+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074992 ((E)-N-({[4-Chloro-2-methoxy-3-(2-methyl-quinolin-8...) Show SMILES COc1c(COc2cccc3ccc(C)nc23)c(Cl)ccc1N(C)C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C31H27ClF3N3O4/c1-19-7-11-21-5-4-6-26(29(21)37-19)42-18-23-24(32)14-15-25(30(23)41-3)38(2)28(40)17-36-27(39)16-10-20-8-12-22(13-9-20)31(33,34)35/h4-16H,17-18H2,1-3H3,(H,36,39)/b16-10+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074980 ((E)-N-({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-y...) Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl Show InChI InChI=1S/C28H22Cl2F3N3O3S/c1-16-35-27-22(4-3-5-23(27)40-16)39-15-19-20(29)11-12-21(26(19)30)36(2)25(38)14-34-24(37)13-8-17-6-9-18(10-7-17)28(31,32)33/h3-13H,14-15H2,1-2H3,(H,34,37)/b13-8+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074990 (4-[3-({[4-Chloro-2-cyano-3-(2-methyl-quinolin-8-yl...) Show SMILES CN(C(=O)CNC(=O)NCCCC(O)=O)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1C#N Show InChI InChI=1S/C26H26ClN5O5/c1-16-8-9-17-5-3-6-22(25(17)31-16)37-15-19-18(13-28)21(11-10-20(19)27)32(2)23(33)14-30-26(36)29-12-4-7-24(34)35/h3,5-6,8-11H,4,7,12,14-15H2,1-2H3,(H,34,35)(H2,29,30,36)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of BK-induced (4x10E-8M) contraction of isolated guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074991 ((E)-Penta-2,4-dienoic acid ({[2,4-dichloro-3-(2-me...) Show SMILES CN(C(=O)CNC(=O)\C=C\C=C)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl Show InChI InChI=1S/C23H21Cl2N3O3S/c1-4-5-9-20(29)26-12-21(30)28(3)17-11-10-16(24)15(22(17)25)13-31-18-7-6-8-19-23(18)27-14(2)32-19/h4-11H,1,12-13H2,2-3H3,(H,26,29)/b9-5+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of BK-induced (4x10E-8M) contraction of isolated guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074985 ((E)-N-({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-y...) Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccco1)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl Show InChI InChI=1S/C25H21Cl2N3O4S/c1-15-29-25-20(6-3-7-21(25)35-15)34-14-17-18(26)9-10-19(24(17)27)30(2)23(32)13-28-22(31)11-8-16-5-4-12-33-16/h3-12H,13-14H2,1-2H3,(H,28,31)/b11-8+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of BK-induced (4x10E-8M) contraction of isolated guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074998 ((E)-N-({[4-Methoxy-3-(2-methyl-quinolin-8-yloxymet...) Show SMILES CCCOc1c(COc2cccc3ccc(C)nc23)c(OC)ccc1N(C)C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C34H34F3N3O5/c1-5-19-44-33-26(21-45-29-8-6-7-24-13-9-22(2)39-32(24)29)28(43-4)17-16-27(33)40(3)31(42)20-38-30(41)18-12-23-10-14-25(15-11-23)34(35,36)37/h6-18H,5,19-21H2,1-4H3,(H,38,41)/b18-12+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074994 (5-[({[4-Methoxy-3-(2-methyl-quinolin-8-yloxymethyl...) Show SMILES COC(=O)CCCCC(=O)NCC(=O)N(C)c1ccc(OC)c(COc2cccc3ccc(C)nc23)c1SC Show InChI InChI=1S/C29H35N3O6S/c1-19-13-14-20-9-8-10-24(28(20)31-19)38-18-21-23(36-3)16-15-22(29(21)39-5)32(2)26(34)17-30-25(33)11-6-7-12-27(35)37-4/h8-10,13-16H,6-7,11-12,17-18H2,1-5H3,(H,30,33)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074987 (CHEMBL113502 | N-[2-Cyano-4-methoxy-3-(2-methyl-qu...) Show SMILES CCNC(=O)NCC(=O)N(C)c1ccc(OC)c(COc2cccc3ccc(C)nc23)c1C#N Show InChI InChI=1S/C25H27N5O4/c1-5-27-25(32)28-14-23(31)30(3)20-11-12-21(33-4)19(18(20)13-26)15-34-22-8-6-7-17-10-9-16(2)29-24(17)22/h6-12H,5,14-15H2,1-4H3,(H2,27,28,32)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074979 ((E)-3-(4-Methoxy-phenyl)-N-({methyl-[3-(2-methyl-q...) Show SMILES COc1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(SC)c(COc3cccc4ccc(C)nc34)c2SC)cc1 Show InChI InChI=1S/C32H33N3O4S2/c1-21-9-13-23-7-6-8-27(31(23)34-21)39-20-25-28(40-4)17-16-26(32(25)41-5)35(2)30(37)19-33-29(36)18-12-22-10-14-24(38-3)15-11-22/h6-18H,19-20H2,1-5H3,(H,33,36)/b18-12+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074999 (CHEMBL114180 | N-[4-Chloro-2-cyano-3-(2-methyl-qui...) Show SMILES CCNC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1C#N Show InChI InChI=1S/C24H24ClN5O3/c1-4-27-24(32)28-13-22(31)30(3)20-11-10-19(25)18(17(20)12-26)14-33-21-7-5-6-16-9-8-15(2)29-23(16)21/h5-11H,4,13-14H2,1-3H3,(H2,27,28,32)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074996 (({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-yloxyme...) Show SMILES CN(C(=O)CNC(=O)OCc1ccccc1)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl Show InChI InChI=1S/C26H23Cl2N3O4S/c1-16-30-25-21(9-6-10-22(25)36-16)34-15-18-19(27)11-12-20(24(18)28)31(2)23(32)13-29-26(33)35-14-17-7-4-3-5-8-17/h3-12H,13-15H2,1-2H3,(H,29,33)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074981 ((E)-N-({[2,4-Dimethoxy-3-(2-methyl-quinolin-8-ylox...) Show SMILES COc1ccc(N(C)C(=O)CNC(=O)\C=C\c2cccc(C)c2)c(OC)c1COc1cccc2ccc(C)nc12 Show InChI InChI=1S/C32H33N3O5/c1-21-8-6-9-23(18-21)13-17-29(36)33-19-30(37)35(3)26-15-16-27(38-4)25(32(26)39-5)20-40-28-11-7-10-24-14-12-22(2)34-31(24)28/h6-18H,19-20H2,1-5H3,(H,33,36)/b17-13+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of BK-induced (4x10E-8M) contraction of isolated guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074995 ((E)-N-({[2-Methoxy-3-(2-methyl-quinolin-8-yloxymet...) Show SMILES COc1c(COc2cccc3ccc(C)nc23)c(SC)ccc1N(C)C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C32H30F3N3O4S/c1-20-8-12-22-6-5-7-26(30(22)37-20)42-19-24-27(43-4)16-15-25(31(24)41-3)38(2)29(40)18-36-28(39)17-11-21-9-13-23(14-10-21)32(33,34)35/h5-17H,18-19H2,1-4H3,(H,36,39)/b17-11+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074988 ((E)-N-({[3-(Benzothiazol-4-yloxymethyl)-2,4-dichlo...) Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(C)cc1)c1ccc(Cl)c(COc2cccc3scnc23)c1Cl Show InChI InChI=1S/C27H23Cl2N3O3S/c1-17-6-8-18(9-7-17)10-13-24(33)30-14-25(34)32(2)21-12-11-20(28)19(26(21)29)15-35-22-4-3-5-23-27(22)31-16-36-23/h3-13,16H,14-15H2,1-2H3,(H,30,33)/b13-10+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074989 ((E)-N-({[2,4-Dichloro-3-(2-phenyl-benzothiazol-4-y...) Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(C)cc1)c1ccc(Cl)c(COc2cccc3sc(nc23)-c2ccccc2)c1Cl Show InChI InChI=1S/C33H27Cl2N3O3S/c1-21-11-13-22(14-12-21)15-18-29(39)36-19-30(40)38(2)26-17-16-25(34)24(31(26)35)20-41-27-9-6-10-28-32(27)37-33(42-28)23-7-4-3-5-8-23/h3-18H,19-20H2,1-2H3,(H,36,39)/b18-15+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470233 (CHEMBL80177) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccccc1 Show InChI InChI=1S/C30H31N3O5S2/c1-3-4-14-26-31-29(39-2)28(30(35)36)33(26)20-22-15-17-23(18-16-22)24-12-8-9-13-25(24)40(37,38)32-27(34)19-21-10-6-5-7-11-21/h5-13,15-18H,3-4,14,19-20H2,1-2H3,(H,32,34)(H,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470229 (CHEMBL76870) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1 Show InChI InChI=1S/C29H29N3O5S2/c1-3-4-14-25-30-28(38-2)26(29(34)35)32(25)19-20-15-17-21(18-16-20)23-12-8-9-13-24(23)39(36,37)31-27(33)22-10-6-5-7-11-22/h5-13,15-18H,3-4,14,19H2,1-2H3,(H,31,33)(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470239 (CHEMBL311312) Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc(SC)c2C(O)=O)cc1 Show InChI InChI=1S/C27H33N3O6S2/c1-4-6-12-23-28-25(37-3)24(26(31)32)30(23)18-19-13-15-20(16-14-19)21-10-8-9-11-22(21)38(34,35)29-27(33)36-17-7-5-2/h8-11,13-16H,4-7,12,17-18H2,1-3H3,(H,29,33)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470236 (CHEMBL309313) Show SMILES CCCCc1nc(SC)c(C(=O)OCc2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C33H38N4O5S2/c1-4-6-16-29-35-31(43-3)30(32(38)42-23-25-12-8-7-9-13-25)37(29)22-24-17-19-26(20-18-24)27-14-10-11-15-28(27)44(40,41)36-33(39)34-21-5-2/h7-15,17-20H,4-6,16,21-23H2,1-3H3,(H2,34,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045686 (4-(4-Amino-piperidin-1-yl)-N-[1-(1-cyclohexylmethy...) Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C43H57N7O5/c44-33-18-21-50(22-19-33)40(52)25-32(24-31-13-8-12-30-11-4-5-15-36(30)31)42(54)49-38(26-35-27-45-28-47-35)43(55)48-37(23-29-9-2-1-3-10-29)41(53)39(51)17-16-34-14-6-7-20-46-34/h4-8,11-15,20,27-29,32-33,37-39,41,51,53H,1-3,9-10,16-19,21-26,44H2,(H,45,47)(H,48,55)(H,49,54)/t32-,37+,38+,39+,41-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045691 (CHEMBL94827 | Methyl-{2-[methyl-(morpholine-4-carb...) Show SMILES CN(CCN(C)C(=O)N1CCOCC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C42H60N8O8/c1-48(41(55)50-21-23-57-24-22-50)19-20-49(2)42(56)58-37(26-31-13-7-4-8-14-31)40(54)47-35(27-33-28-43-29-45-33)39(53)46-34(25-30-11-5-3-6-12-30)38(52)36(51)17-16-32-15-9-10-18-44-32/h4,7-10,13-15,18,28-30,34-38,51-52H,3,5-6,11-12,16-17,19-27H2,1-2H3,(H,43,45)(H,46,53)(H,47,54)/t34-,35-,36-,37-,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045691 (CHEMBL94827 | Methyl-{2-[methyl-(morpholine-4-carb...) Show SMILES CN(CCN(C)C(=O)N1CCOCC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C42H60N8O8/c1-48(41(55)50-21-23-57-24-22-50)19-20-49(2)42(56)58-37(26-31-13-7-4-8-14-31)40(54)47-35(27-33-28-43-29-45-33)39(53)46-34(25-30-11-5-3-6-12-30)38(52)36(51)17-16-32-15-9-10-18-44-32/h4,7-10,13-15,18,28-30,34-38,51-52H,3,5-6,11-12,16-17,19-27H2,1-2H3,(H,43,45)(H,46,53)(H,47,54)/t34-,35-,36-,37-,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045687 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) Show SMILES CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C37H53N5O6S/c1-37(2,3)49(47,48)24-28(20-26-12-6-4-7-13-26)35(45)42-32(22-30-23-38-25-40-30)36(46)41-31(21-27-14-8-5-9-15-27)34(44)33(43)18-17-29-16-10-11-19-39-29/h4,6-7,10-13,16,19,23,25,27-28,31-34,43-44H,5,8-9,14-15,17-18,20-22,24H2,1-3H3,(H,38,40)(H,41,46)(H,42,45)/t28-,31+,32+,33+,34-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair				3D Structure (docked)
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470250 (CHEMBL77308) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCC Show InChI InChI=1S/C26H31N3O5S2/c1-4-6-12-22-27-25(35-3)24(26(31)32)29(22)17-18-13-15-19(16-14-18)20-10-7-8-11-21(20)36(33,34)28-23(30)9-5-2/h7-8,10-11,13-16H,4-6,9,12,17H2,1-3H3,(H,28,30)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50213569 (CHEMBL78866) Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc(SC)c2C(O)=O)cc1 Show InChI InChI=1S/C27H34N4O5S2/c1-4-6-12-23-29-25(37-3)24(26(32)33)31(23)18-19-13-15-20(16-14-19)21-10-8-9-11-22(21)38(35,36)30-27(34)28-17-7-5-2/h8-11,13-16H,4-7,12,17-18H2,1-3H3,(H,32,33)(H2,28,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470225 (CHEMBL80700) Show SMILES CCCCc1nc(SCCCO)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C28H36N4O6S2/c1-3-5-11-24-30-26(39-18-8-17-33)25(27(34)35)32(24)19-20-12-14-21(15-13-20)22-9-6-7-10-23(22)40(37,38)31-28(36)29-16-4-2/h6-7,9-10,12-15,33H,3-5,8,11,16-19H2,1-2H3,(H,34,35)(H2,29,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470226 (CHEMBL311827) Show SMILES CCCCc1nc(Sc2cccs2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C29H32N4O5S3/c1-3-5-11-24-31-27(40-25-12-8-18-39-25)26(28(34)35)33(24)19-20-13-15-21(16-14-20)22-9-6-7-10-23(22)41(37,38)32-29(36)30-17-4-2/h6-10,12-16,18H,3-5,11,17,19H2,1-2H3,(H,34,35)(H2,30,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470235 (CHEMBL308135) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OCC(C)C Show InChI InChI=1S/C27H33N3O6S2/c1-5-6-11-23-28-25(37-4)24(26(31)32)30(23)16-19-12-14-20(15-13-19)21-9-7-8-10-22(21)38(34,35)29-27(33)36-17-18(2)3/h7-10,12-15,18H,5-6,11,16-17H2,1-4H3,(H,29,33)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470206 (CHEMBL445365) Show SMILES CCCCc1nc(SCSC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C27H34N4O5S3/c1-4-6-11-23-29-25(38-18-37-3)24(26(32)33)31(23)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)39(35,36)30-27(34)28-16-5-2/h7-10,12-15H,4-6,11,16-18H2,1-3H3,(H,32,33)(H2,28,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50213557 (CHEMBL309602) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC Show InChI InChI=1S/C25H30N4O5S2/c1-4-6-11-21-27-23(35-3)22(24(30)31)29(21)16-17-12-14-18(15-13-17)19-9-7-8-10-20(19)36(33,34)28-25(32)26-5-2/h7-10,12-15H,4-6,11,16H2,1-3H3,(H,30,31)(H2,26,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50031491 (2-propyl-4-(methythio)-1-[[[2'-[(propylamino)carbo...) Show SMILES CCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(SC)c2C(O)=O)cc1 Show InChI InChI=1S/C25H30N4O5S2/c1-4-8-21-27-23(35-3)22(24(30)31)29(21)16-17-11-13-18(14-12-17)19-9-6-7-10-20(19)36(33,34)28-25(32)26-15-5-2/h6-7,9-14H,4-5,8,15-16H2,1-3H3,(H,30,31)(H2,26,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045683 (4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...) Show SMILES NC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C39H55N7O5/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50)/t29-,33+,34+,35+,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045685 (4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...) Show SMILES CSC[C@H](NC(=O)[C@@H](CC(=O)N1CCC(N)CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C37H55N5O5S/c1-48-25-32(41-36(46)28(22-26-10-4-2-5-11-26)24-34(44)42-20-17-29(38)18-21-42)37(47)40-31(23-27-12-6-3-7-13-27)35(45)33(43)16-15-30-14-8-9-19-39-30/h2,4-5,8-11,14,19,27-29,31-33,35,43,45H,3,6-7,12-13,15-18,20-25,38H2,1H3,(H,40,47)(H,41,46)/t28-,31+,32+,33+,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045685 (4-(4-Amino-piperidin-1-yl)-2-benzyl-N-[1-(1-cycloh...) Show SMILES CSC[C@H](NC(=O)[C@@H](CC(=O)N1CCC(N)CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C37H55N5O5S/c1-48-25-32(41-36(46)28(22-26-10-4-2-5-11-26)24-34(44)42-20-17-29(38)18-21-42)37(47)40-31(23-27-12-6-3-7-13-27)35(45)33(43)16-15-30-14-8-9-19-39-30/h2,4-5,8-11,14,19,27-29,31-33,35,43,45H,3,6-7,12-13,15-18,20-25,38H2,1H3,(H,40,47)(H,41,46)/t28-,31+,32+,33+,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470249 (CHEMBL309845) Show SMILES CCCCc1nc(SCC(F)(F)C(F)(F)CO)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C29H34F4N4O6S2/c1-3-5-10-23-35-25(44-18-29(32,33)28(30,31)17-38)24(26(39)40)37(23)16-19-11-13-20(14-12-19)21-8-6-7-9-22(21)45(42,43)36-27(41)34-15-4-2/h6-9,11-14,38H,3-5,10,15-18H2,1-2H3,(H,39,40)(H2,34,36,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470241 (CHEMBL305638) Show SMILES CCCCc1nc(SCCCCOC(C)=O)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C31H40N4O7S2/c1-4-6-13-27-33-29(43-20-10-9-19-42-22(3)36)28(30(37)38)35(27)21-23-14-16-24(17-15-23)25-11-7-8-12-26(25)44(40,41)34-31(39)32-18-5-2/h7-8,11-12,14-17H,4-6,9-10,13,18-21H2,1-3H3,(H,37,38)(H2,32,34,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50031537 (2-Butyl-3-(N'-propylureidylsulfonyl-biphenyl-4-ylm...) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C26H32N4O5S2/c1-4-6-11-22-28-24(36-3)23(25(31)32)30(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)37(34,35)29-26(33)27-16-5-2/h7-10,12-15H,4-6,11,16-17H2,1-3H3,(H,31,32)(H2,27,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470227 (CHEMBL76538) Show SMILES CCCCc1nc(SC)c(C(=O)NC(C(C)CC)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C32H43N5O6S2/c1-6-9-14-26-34-30(44-5)28(29(38)35-27(31(39)40)21(4)8-3)37(26)20-22-15-17-23(18-16-22)24-12-10-11-13-25(24)45(42,43)36-32(41)33-19-7-2/h10-13,15-18,21,27H,6-9,14,19-20H2,1-5H3,(H,35,38)(H,39,40)(H2,33,36,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470223 (CHEMBL312386) Show SMILES CCCCc1nc(Sc2ccccc2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C31H34N4O5S2/c1-3-5-15-27-33-29(41-24-11-7-6-8-12-24)28(30(36)37)35(27)21-22-16-18-23(19-17-22)25-13-9-10-14-26(25)42(39,40)34-31(38)32-20-4-2/h6-14,16-19H,3-5,15,20-21H2,1-2H3,(H,36,37)(H2,32,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045692 (3-(4-Amino-cyclohexanesulfonyl)-2-benzyl-N-[1-(1-c...) Show SMILES N[C@H]1CC[C@H](CC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 |wU:11.11,32.34,4.7,1.0,42.46,wD:22.23,40.44,(-.88,-15.35,;.47,-14.59,;.5,-13.05,;1.83,-12.3,;3.16,-13.09,;3.13,-14.63,;1.8,-15.38,;4.49,-12.33,;3.39,-11.23,;5.58,-11.23,;5.82,-13.11,;7.17,-12.34,;7.17,-10.8,;6.4,-9.47,;7.17,-8.12,;6.38,-6.77,;4.84,-6.79,;4.07,-8.14,;4.84,-9.47,;8.5,-13.12,;8.48,-14.66,;9.83,-12.37,;11.16,-13.14,;11.14,-14.68,;12.47,-15.45,;13.89,-14.84,;14.92,-15.99,;14.12,-17.32,;12.63,-16.99,;12.49,-12.37,;12.51,-10.83,;13.82,-13.14,;15.17,-12.39,;15.17,-10.85,;15.94,-9.52,;15.17,-8.17,;15.94,-6.84,;17.48,-6.86,;18.25,-8.17,;17.48,-9.52,;16.5,-13.16,;16.48,-14.7,;17.83,-12.41,;17.83,-10.87,;19.16,-13.18,;20.49,-12.42,;21.82,-13.21,;21.82,-14.75,;23.15,-15.52,;24.48,-14.77,;24.48,-13.21,;23.15,-12.44,)| Show InChI InChI=1S/C39H56N6O6S/c40-30-14-17-33(18-15-30)52(50,51)25-29(21-27-9-3-1-4-10-27)38(48)45-35(23-32-24-41-26-43-32)39(49)44-34(22-28-11-5-2-6-12-28)37(47)36(46)19-16-31-13-7-8-20-42-31/h1,3-4,7-10,13,20,24,26,28-30,33-37,46-47H,2,5-6,11-12,14-19,21-23,25,40H2,(H,41,43)(H,44,49)(H,45,48)/t29-,30-,33+,34+,35+,36+,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50045692 (3-(4-Amino-cyclohexanesulfonyl)-2-benzyl-N-[1-(1-c...) Show SMILES N[C@H]1CC[C@H](CC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 |wU:11.11,32.34,4.7,1.0,42.46,wD:22.23,40.44,(-.88,-15.35,;.47,-14.59,;.5,-13.05,;1.83,-12.3,;3.16,-13.09,;3.13,-14.63,;1.8,-15.38,;4.49,-12.33,;3.39,-11.23,;5.58,-11.23,;5.82,-13.11,;7.17,-12.34,;7.17,-10.8,;6.4,-9.47,;7.17,-8.12,;6.38,-6.77,;4.84,-6.79,;4.07,-8.14,;4.84,-9.47,;8.5,-13.12,;8.48,-14.66,;9.83,-12.37,;11.16,-13.14,;11.14,-14.68,;12.47,-15.45,;13.89,-14.84,;14.92,-15.99,;14.12,-17.32,;12.63,-16.99,;12.49,-12.37,;12.51,-10.83,;13.82,-13.14,;15.17,-12.39,;15.17,-10.85,;15.94,-9.52,;15.17,-8.17,;15.94,-6.84,;17.48,-6.86,;18.25,-8.17,;17.48,-9.52,;16.5,-13.16,;16.48,-14.7,;17.83,-12.41,;17.83,-10.87,;19.16,-13.18,;20.49,-12.42,;21.82,-13.21,;21.82,-14.75,;23.15,-15.52,;24.48,-14.77,;24.48,-13.21,;23.15,-12.44,)| Show InChI InChI=1S/C39H56N6O6S/c40-30-14-17-33(18-15-30)52(50,51)25-29(21-27-9-3-1-4-10-27)38(48)45-35(23-32-24-41-26-43-32)39(49)44-34(22-28-11-5-2-6-12-28)37(47)36(46)19-16-31-13-7-8-20-42-31/h1,3-4,7-10,13,20,24,26,28-30,33-37,46-47H,2,5-6,11-12,14-19,21-23,25,40H2,(H,41,43)(H,44,49)(H,45,48)/t29-,30-,33+,34+,35+,36+,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50045693 (4-Amino-piperidine-1-carboxylic acid 1-[1-(1-cyclo...) Show SMILES NC1CCN(CC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C38H53N7O6/c39-28-16-19-45(20-17-28)38(50)51-34(22-27-11-5-2-6-12-27)37(49)44-32(23-30-24-40-25-42-30)36(48)43-31(21-26-9-3-1-4-10-26)35(47)33(46)15-14-29-13-7-8-18-41-29/h2,5-8,11-13,18,24-26,28,31-35,46-47H,1,3-4,9-10,14-17,19-23,39H2,(H,40,42)(H,43,48)(H,44,49)/t31-,32-,33-,34-,35+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair

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