Compile Data Set for Download or QSAR

Found 135 hits with Last Name = 'gros' and Initial = 'p'   

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
Renin (Homo sapiens (Human))	BDBM98679 (US8497286, 155) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r| Show InChI InChI=1S/C27H44N4O4/c1-7-35-16-21(10-17(2)3)30-26(32)19-11-20(14-28-13-19)27(33)31(22-8-9-22)25-12-24(34-6)23(15-29-25)18(4)5/h12,15,17-22,28H,7-11,13-14,16H2,1-6H3,(H,30,32)/t19-,20+,21+/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98684 (US8497286, 160) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1 |r| Show InChI InChI=1S/C27H44N4O4/c1-6-19-16-29-25(13-24(19)35-8-3)31(23-9-10-23)27(33)21-12-20(14-28-15-21)26(32)30-22(11-18(4)5)17-34-7-2/h13,16,18,20-23,28H,6-12,14-15,17H2,1-5H3,(H,30,32)/t20-,21+,22+/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98678 (US8497286, 154) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1ccc(cn1)C(C)C |r| Show InChI InChI=1S/C26H42N4O4/c1-6-34-15-19(11-16(2)3)29-25(32)21-13-27-14-22(24(21)31)26(33)30(20-8-9-20)23-10-7-18(12-28-23)17(4)5/h7,10,12,16-17,19-22,24,27,31H,6,8-9,11,13-15H2,1-5H3,(H,29,32)/t19-,21-,22+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50054540 (CHEMBL3318939) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCCCOC)c(cc1F)C(C)C |r| Show InChI InChI=1S/C31H50FN3O5/c1-7-39-19-24(13-20(2)3)34-30(36)22-14-23(18-33-17-22)31(37)35(25-9-10-25)28-16-29(40-12-8-11-38-6)26(21(4)5)15-27(28)32/h15-16,20-25,33H,7-14,17-19H2,1-6H3,(H,34,36)/t22-,23+,24+/m0/s1	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054632 (CHEMBL3318940) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc2N(CCCOC)C(=O)C(C)(C)Oc2cc1F |r| Show InChI InChI=1S/C32H49FN4O6.ClH/c1-7-42-19-23(13-20(2)3)35-29(38)21-14-22(18-34-17-21)30(39)37(24-9-10-24)26-16-27-28(15-25(26)33)43-32(4,5)31(40)36(27)11-8-12-41-6;/h15-16,20-24,34H,7-14,17-19H2,1-6H3,(H,35,38);1H/t21-,22+,23+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054633 (CHEMBL3318941) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCCCOC)c(cn1)C(C)C |r| Show InChI InChI=1S/C30H50N4O5.ClH/c1-7-38-19-24(13-20(2)3)33-29(35)22-14-23(17-31-16-22)30(36)34(25-9-10-25)28-15-27(39-12-8-11-37-6)26(18-32-28)21(4)5;/h15,18,20-25,31H,7-14,16-17,19H2,1-6H3,(H,33,35);1H/t22-,23+,24+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054636 (CHEMBL3318937) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)N[C@H](CCO)c2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C32H42N4O4/c1-40-17-7-15-35-21-26(28-10-5-6-11-30(28)35)22-36(27-12-13-27)32(39)25-18-24(19-33-20-25)31(38)34-29(14-16-37)23-8-3-2-4-9-23/h2-6,8-11,21,24-25,27,29,33,37H,7,12-20,22H2,1H3,(H,34,38)/t24-,25+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054637 (CHEMBL3318938) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)Nc2c(C)cccc2OC)c2ccccc12 |r| Show InChI InChI=1S/C31H40N4O4/c1-21-8-6-11-28(39-3)29(21)33-30(36)22-16-23(18-32-17-22)31(37)35(25-12-13-25)20-24-19-34(14-7-15-38-2)27-10-5-4-9-26(24)27/h4-6,8-11,19,22-23,25,32H,7,12-18,20H2,1-3H3,(H,33,36)/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98679 (US8497286, 155) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r| Show InChI InChI=1S/C27H44N4O4/c1-7-35-16-21(10-17(2)3)30-26(32)19-11-20(14-28-13-19)27(33)31(22-8-9-22)25-12-24(34-6)23(15-29-25)18(4)5/h12,15,17-22,28H,7-11,13-14,16H2,1-6H3,(H,30,32)/t19-,20+,21+/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98686 (US8497286, 162) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1 |r| Show InChI InChI=1S/C27H44N4O5/c1-6-18-13-29-24(12-23(18)36-8-3)31(20-9-10-20)27(34)22-15-28-14-21(25(22)32)26(33)30-19(11-17(4)5)16-35-7-2/h12-13,17,19-22,25,28,32H,6-11,14-16H2,1-5H3,(H,30,33)/t19-,21-,22+,25-/m1/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98678 (US8497286, 154) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1ccc(cn1)C(C)C |r| Show InChI InChI=1S/C26H42N4O4/c1-6-34-15-19(11-16(2)3)29-25(32)21-13-27-14-22(24(21)31)26(33)30(20-8-9-20)23-10-7-18(12-28-23)17(4)5/h7,10,12,16-17,19-22,24,27,31H,6,8-9,11,13-15H2,1-5H3,(H,29,32)/t19-,21-,22+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM98684 (US8497286, 160) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1 |r| Show InChI InChI=1S/C27H44N4O4/c1-6-19-16-29-25(13-24(19)35-8-3)31(23-9-10-23)27(33)21-12-20(14-28-15-21)26(32)30-22(11-18(4)5)17-34-7-2/h13,16,18,20-23,28H,6-12,14-15,17H2,1-5H3,(H,30,32)/t20-,21+,22+/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98685 (US8497286, 161) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r| Show InChI InChI=1S/C27H44N4O5/c1-7-36-15-18(10-16(2)3)30-26(33)21-12-28-13-22(25(21)32)27(34)31(19-8-9-19)24-11-23(35-6)20(14-29-24)17(4)5/h11,14,16-19,21-22,25,28,32H,7-10,12-13,15H2,1-6H3,(H,30,33)/t18-,21-,22+,25-/m1/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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054634 (CHEMBL3318942) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(C(C)C)c(OCCCOC)n1 |r| Show InChI InChI=1S/C30H50N4O5.ClH/c1-7-38-19-24(15-20(2)3)32-28(35)22-16-23(18-31-17-22)30(36)34(25-9-10-25)27-12-11-26(21(4)5)29(33-27)39-14-8-13-37-6;/h11-12,20-25,31H,7-10,13-19H2,1-6H3,(H,32,35);1H/t22-,23+,24+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98673 (US8497286, 149) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(cn1)C(C)C |r| Show InChI InChI=1S/C26H42N4O3/c1-6-33-16-22(11-17(2)3)29-25(31)20-12-21(14-27-13-20)26(32)30(23-8-9-23)24-10-7-19(15-28-24)18(4)5/h7,10,15,17-18,20-23,27H,6,8-9,11-14,16H2,1-5H3,(H,29,31)/t20-,21+,22+/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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054633 (CHEMBL3318941) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCCCOC)c(cn1)C(C)C |r| Show InChI InChI=1S/C30H50N4O5.ClH/c1-7-38-19-24(13-20(2)3)33-29(35)22-14-23(17-31-16-22)30(36)34(25-9-10-25)28-15-27(39-12-8-11-37-6)26(18-32-28)21(4)5;/h15,18,20-25,31H,7-14,16-17,19H2,1-6H3,(H,33,35);1H/t22-,23+,24+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054636 (CHEMBL3318937) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)N[C@H](CCO)c2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C32H42N4O4/c1-40-17-7-15-35-21-26(28-10-5-6-11-30(28)35)22-36(27-12-13-27)32(39)25-18-24(19-33-20-25)31(38)34-29(14-16-37)23-8-3-2-4-9-23/h2-6,8-11,21,24-25,27,29,33,37H,7,12-20,22H2,1H3,(H,34,38)/t24-,25+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98673 (US8497286, 149) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(cn1)C(C)C |r| Show InChI InChI=1S/C26H42N4O3/c1-6-33-16-22(11-17(2)3)29-25(31)20-12-21(14-27-13-20)26(32)30(23-8-9-23)24-10-7-19(15-28-24)18(4)5/h7,10,15,17-18,20-23,27H,6,8-9,11-14,16H2,1-5H3,(H,29,31)/t20-,21+,22+/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98685 (US8497286, 161) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r| Show InChI InChI=1S/C27H44N4O5/c1-7-36-15-18(10-16(2)3)30-26(33)21-12-28-13-22(25(21)32)27(34)31(19-8-9-19)24-11-23(35-6)20(14-29-24)17(4)5/h11,14,16-19,21-22,25,28,32H,7-10,12-13,15H2,1-6H3,(H,30,33)/t18-,21-,22+,25-/m1/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054637 (CHEMBL3318938) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)Nc2c(C)cccc2OC)c2ccccc12 |r| Show InChI InChI=1S/C31H40N4O4/c1-21-8-6-11-28(39-3)29(21)33-30(36)22-16-23(18-32-17-22)31(37)35(25-12-13-25)20-24-19-34(14-7-15-38-2)27-10-5-4-9-26(24)27/h4-6,8-11,19,22-23,25,32H,7,12-18,20H2,1-3H3,(H,33,36)/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054540 (CHEMBL3318939) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCCCOC)c(cc1F)C(C)C |r| Show InChI InChI=1S/C31H50FN3O5/c1-7-39-19-24(13-20(2)3)34-30(36)22-14-23(18-33-17-22)31(37)35(25-9-10-25)28-16-29(40-12-8-11-38-6)26(21(4)5)15-27(28)32/h15-16,20-25,33H,7-14,17-19H2,1-6H3,(H,34,36)/t22-,23+,24+/m0/s1	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98686 (US8497286, 162) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1 |r| Show InChI InChI=1S/C27H44N4O5/c1-6-18-13-29-24(12-23(18)36-8-3)31(20-9-10-20)27(34)22-15-28-14-21(25(22)32)26(33)30-19(11-17(4)5)16-35-7-2/h12-13,17,19-22,25,28,32H,6-11,14-16H2,1-5H3,(H,30,33)/t19-,21-,22+,25-/m1/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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054635 (CHEMBL3318936) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)N[C@@H](CO)CC(C)C)c2ccccc12 |r| Show InChI InChI=1S/C29H44N4O4/c1-20(2)13-24(19-34)31-28(35)21-14-22(16-30-15-21)29(36)33(25-9-10-25)18-23-17-32(11-6-12-37-3)27-8-5-4-7-26(23)27/h4-5,7-8,17,20-22,24-25,30,34H,6,9-16,18-19H2,1-3H3,(H,31,35)/t21-,22+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054632 (CHEMBL3318940) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc2N(CCCOC)C(=O)C(C)(C)Oc2cc1F |r| Show InChI InChI=1S/C32H49FN4O6.ClH/c1-7-42-19-23(13-20(2)3)35-29(38)21-14-22(18-34-17-21)30(39)37(24-9-10-24)26-16-27-28(15-25(26)33)43-32(4,5)31(40)36(27)11-8-12-41-6;/h15-16,20-24,34H,7-14,17-19H2,1-6H3,(H,35,38);1H/t21-,22+,23+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054642 (CHEMBL3318935) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)NCCC(C)C)c2ccccc12 |r| Show InChI InChI=1S/C28H42N4O3/c1-20(2)11-12-30-27(33)21-15-22(17-29-16-21)28(34)32(24-9-10-24)19-23-18-31(13-6-14-35-3)26-8-5-4-7-25(23)26/h4-5,7-8,18,20-22,24,29H,6,9-17,19H2,1-3H3,(H,30,33)/t21-,22+/m0/s1	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054639 (CHEMBL3318929) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C27H43N3O3.ClH/c1-6-33-17-23(13-18(2)3)29-26(31)21-14-22(16-28-15-21)27(32)30(25-11-12-25)24-9-7-20(8-10-24)19(4)5;/h7-10,18-19,21-23,25,28H,6,11-17H2,1-5H3,(H,29,31);1H/t21-,22+,23+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054634 (CHEMBL3318942) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(C(C)C)c(OCCCOC)n1 |r| Show InChI InChI=1S/C30H50N4O5.ClH/c1-7-38-19-24(15-20(2)3)32-28(35)22-16-23(18-31-17-22)30(36)34(25-9-10-25)27-12-11-26(21(4)5)29(33-27)39-14-8-13-37-6;/h11-12,20-25,31H,7-10,13-19H2,1-6H3,(H,32,35);1H/t22-,23+,24+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054635 (CHEMBL3318936) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)N[C@@H](CO)CC(C)C)c2ccccc12 |r| Show InChI InChI=1S/C29H44N4O4/c1-20(2)13-24(19-34)31-28(35)21-14-22(16-30-15-21)29(36)33(25-9-10-25)18-23-17-32(11-6-12-37-3)27-8-5-4-7-26(23)27/h4-5,7-8,17,20-22,24-25,30,34H,6,9-16,18-19H2,1-3H3,(H,31,35)/t21-,22+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054641 (CHEMBL3318934) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)NCC(C)C)c2ccccc12 |r| Show InChI InChI=1S/C27H40N4O3/c1-19(2)14-29-26(32)20-13-21(16-28-15-20)27(33)31(23-9-10-23)18-22-17-30(11-6-12-34-3)25-8-5-4-7-24(22)25/h4-5,7-8,17,19-21,23,28H,6,9-16,18H2,1-3H3,(H,29,32)/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054642 (CHEMBL3318935) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)NCCC(C)C)c2ccccc12 |r| Show InChI InChI=1S/C28H42N4O3/c1-20(2)11-12-30-27(33)21-15-22(17-29-16-21)28(34)32(24-9-10-24)19-23-18-31(13-6-14-35-3)26-8-5-4-7-25(23)26/h4-5,7-8,18,20-22,24,29H,6,9-17,19H2,1-3H3,(H,30,33)/t21-,22+/m0/s1	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	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054641 (CHEMBL3318934) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)NCC(C)C)c2ccccc12 |r| Show InChI InChI=1S/C27H40N4O3/c1-19(2)14-29-26(32)20-13-21(16-28-15-20)27(33)31(23-9-10-23)18-22-17-30(11-6-12-34-3)25-8-5-4-7-24(22)25/h4-5,7-8,17,19-21,23,28H,6,9-16,18H2,1-3H3,(H,29,32)/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054644 (CHEMBL3318932) Show SMILES CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H](C1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 |r| Show InChI InChI=1S/C21H29Cl2N3O3/c1-21(2,3)29-20(28)25-15-9-14(10-24-11-15)19(27)26(16-7-8-16)12-13-5-4-6-17(22)18(13)23/h4-6,14-16,24H,7-12H2,1-3H3,(H,25,28)/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50054643 (CHEMBL3318933) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)NC(=O)CC(C)C)c2ccccc12 |r| Show InChI InChI=1S/C27H40N4O3/c1-19(2)13-26(32)29-22-14-20(15-28-16-22)27(33)31(23-9-10-23)18-21-17-30(11-6-12-34-3)25-8-5-4-7-24(21)25/h4-5,7-8,17,19-20,22-23,28H,6,9-16,18H2,1-3H3,(H,29,32)/t20-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070942 ((-)-Epigallocatechin gallate | (-)-Epigallocatechi...) Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP				Bioorg Med Chem Lett 11: 2763-7 (2001) BindingDB Entry DOI: 10.7270/Q2X92BTR
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50153015 ((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...) Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP				Bioorg Med Chem Lett 11: 2763-7 (2001) BindingDB Entry DOI: 10.7270/Q2X92BTR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50042857 (CHEMBL3354494) Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N Show InChI InChI=1S/C24H20Cl2N4O3/c1-24(2,15-9-16(25)11-17(26)10-15)22(31)19-8-14(4-5-20(19)33-3)23(32)29-13-18-6-7-28-21(12-27)30-18/h4-11H,13H2,1-3H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Cathepsin S using fluorogenic peptide substrate				Bioorg Med Chem Lett 25: 438-43 (2015) Article DOI: 10.1016/j.bmcl.2014.12.057 BindingDB Entry DOI: 10.7270/Q20G3MSB
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054640 (CHEMBL3318930) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H]1CNC[C@@H](C1)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H29N3O3S/c1-19-12-14-24(15-13-19)33(31,32)29-23-16-22(17-27-18-23)26(30)28-25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22-23,25,27,29H,16-18H2,1H3,(H,28,30)/t22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50105589 (2,3,4-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...) Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1O Show InChI InChI=1S/C16H14O8/c17-7-3-12(19)10-5-8(6-23-13(10)4-7)24-16(22)9-1-2-11(18)15(21)14(9)20/h1-4,8,17-21H,5-6H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Inhibitory concentration against polymerization in A17 double mutant HIV-1 RT using a template primer of poly rC/dG12-18 and [3H]dGTP				Bioorg Med Chem Lett 11: 2763-7 (2001) BindingDB Entry DOI: 10.7270/Q2X92BTR
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054645 (CHEMBL3318931) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H]1CNC[C@@H](C1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 |r| Show InChI InChI=1S/C23H27Cl2N3O3S/c1-15-5-9-20(10-6-15)32(30,31)27-18-11-17(12-26-13-18)23(29)28(19-7-8-19)14-16-3-2-4-21(24)22(16)25/h2-6,9-10,17-19,26-27H,7-8,11-14H2,1H3/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50054634 (CHEMBL3318942) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(C(C)C)c(OCCCOC)n1 |r| Show InChI InChI=1S/C30H50N4O5.ClH/c1-7-38-19-24(15-20(2)3)32-28(35)22-16-23(18-31-17-22)30(36)34(25-9-10-25)27-12-11-26(21(4)5)29(33-27)39-14-8-13-37-6;/h11-12,20-25,31H,7-10,13-19H2,1-6H3,(H,32,35);1H/t22-,23+,24+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cell membranes incubated for 90 mins by beta-counting method				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50105589 (2,3,4-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...) Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1O Show InChI InChI=1S/C16H14O8/c17-7-3-12(19)10-5-8(6-23-13(10)4-7)24-16(22)9-1-2-11(18)15(21)14(9)20/h1-4,8,17-21H,5-6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP				Bioorg Med Chem Lett 11: 2763-7 (2001) BindingDB Entry DOI: 10.7270/Q2X92BTR
					More data for this Ligand-Target Pair
Replicative DNA helicase (Pseudomonas aeruginosa)	BDBM50179004 (CHEMBL203999 | N2,N4-bis(3,4-difluorophenyl)-6-(4-...) Show SMILES Fc1ccc(Nc2nc(Nc3ccc(F)c(F)c3)nc(n2)N2CCN(CCOc3ccccc3)CC2)cc1F Show InChI InChI=1S/C27H25F4N7O/c28-21-8-6-18(16-23(21)30)32-25-34-26(33-19-7-9-22(29)24(31)17-19)36-27(35-25)38-12-10-37(11-13-38)14-15-39-20-4-2-1-3-5-20/h1-9,16-17H,10-15H2,(H2,32,33,34,35,36)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Targanta Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa DnaB helicase				Bioorg Med Chem Lett 16: 1286-90 (2006) Article DOI: 10.1016/j.bmcl.2005.11.076 BindingDB Entry DOI: 10.7270/Q2PG1R95
					More data for this Ligand-Target Pair
Replicative DNA helicase (Pseudomonas aeruginosa)	BDBM50179001 (CHEMBL204761 | N2,N4-bis(3,4-difluorophenyl)-6-(4-...) Show SMILES CC(C)CN1CCN(CC1)c1nc(Nc2ccc(F)c(F)c2)nc(Nc2ccc(F)c(F)c2)n1 Show InChI InChI=1S/C23H25F4N7/c1-14(2)13-33-7-9-34(10-8-33)23-31-21(28-15-3-5-17(24)19(26)11-15)30-22(32-23)29-16-4-6-18(25)20(27)12-16/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,28,29,30,31,32)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Targanta Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa DnaB helicase				Bioorg Med Chem Lett 16: 1286-90 (2006) Article DOI: 10.1016/j.bmcl.2005.11.076 BindingDB Entry DOI: 10.7270/Q2PG1R95
					More data for this Ligand-Target Pair
Replicative DNA helicase (Pseudomonas aeruginosa)	BDBM50179000 (CHEMBL205726 | N2-(4-chlorophenyl)-N4-(2-morpholin...) Show SMILES [O-][N+](=O)c1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccc(Cl)cc3)n2)cc1 Show InChI InChI=1S/C21H23ClN8O3/c22-15-1-3-16(4-2-15)24-20-26-19(23-9-10-29-11-13-33-14-12-29)27-21(28-20)25-17-5-7-18(8-6-17)30(31)32/h1-8H,9-14H2,(H3,23,24,25,26,27,28)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Targanta Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa DnaB helicase				Bioorg Med Chem Lett 16: 1286-90 (2006) Article DOI: 10.1016/j.bmcl.2005.11.076 BindingDB Entry DOI: 10.7270/Q2PG1R95
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054639 (CHEMBL3318929) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C27H43N3O3.ClH/c1-6-33-17-23(13-18(2)3)29-26(31)21-14-22(16-28-15-21)27(32)30(25-11-12-25)24-9-7-20(8-10-24)19(4)5;/h7-10,18-19,21-23,25,28H,6,11-17H2,1-5H3,(H,29,31);1H/t21-,22+,23+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50054540 (CHEMBL3318939) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCCCOC)c(cc1F)C(C)C |r| Show InChI InChI=1S/C31H50FN3O5/c1-7-39-19-24(13-20(2)3)34-30(36)22-14-23(18-33-17-22)31(37)35(25-9-10-25)28-16-29(40-12-8-11-38-6)26(21(4)5)15-27(28)32/h15-16,20-25,33H,7-14,17-19H2,1-6H3,(H,34,36)/t22-,23+,24+/m0/s1	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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cell membranes incubated for 90 mins by beta-counting method				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50042857 (CHEMBL3354494) Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N Show InChI InChI=1S/C24H20Cl2N4O3/c1-24(2,15-9-16(25)11-17(26)10-15)22(31)19-8-14(4-5-20(19)33-3)23(32)29-13-18-6-7-28-21(12-27)30-18/h4-11H,13H2,1-3H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Cathepsin L using fluorogenic peptide substrate				Bioorg Med Chem Lett 25: 438-43 (2015) Article DOI: 10.1016/j.bmcl.2014.12.057 BindingDB Entry DOI: 10.7270/Q20G3MSB
					More data for this Ligand-Target Pair
Replicative DNA helicase (Pseudomonas aeruginosa)	BDBM50178998 (1-(4-(4,6-bis(4-bromophenylamino)-1,3,5-triazin-2-...) Show SMILES CC(=O)c1ccc(Nc2nc(Nc3ccc(Br)cc3)nc(Nc3ccc(Br)cc3)n2)cc1 Show InChI InChI=1S/C23H18Br2N6O/c1-14(32)15-2-8-18(9-3-15)26-21-29-22(27-19-10-4-16(24)5-11-19)31-23(30-21)28-20-12-6-17(25)7-13-20/h2-13H,1H3,(H3,26,27,28,29,30,31)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Targanta Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa DnaB helicase				Bioorg Med Chem Lett 16: 1286-90 (2006) Article DOI: 10.1016/j.bmcl.2005.11.076 BindingDB Entry DOI: 10.7270/Q2PG1R95
					More data for this Ligand-Target Pair
Replicative DNA helicase (Pseudomonas aeruginosa)	BDBM50179007 (6-(4-benzylpiperazin-1-yl)-N2,N4-bis(3,4-difluorop...) Show SMILES Fc1ccc(Nc2nc(Nc3ccc(F)c(F)c3)nc(n2)N2CCN(Cc3ccccc3)CC2)cc1F Show InChI InChI=1S/C26H23F4N7/c27-20-8-6-18(14-22(20)29)31-24-33-25(32-19-7-9-21(28)23(30)15-19)35-26(34-24)37-12-10-36(11-13-37)16-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H2,31,32,33,34,35)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Targanta Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa DnaB helicase				Bioorg Med Chem Lett 16: 1286-90 (2006) Article DOI: 10.1016/j.bmcl.2005.11.076 BindingDB Entry DOI: 10.7270/Q2PG1R95
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50105592 (2,3,4-Trihydroxy-benzoic acid 2-(6,7-dihydroxy-chr...) Show SMILES Oc1ccc(C(=O)OCCC2COc3cc(O)c(O)cc3C2)c(O)c1O Show InChI InChI=1S/C18H18O8/c19-12-2-1-11(16(22)17(12)23)18(24)25-4-3-9-5-10-6-13(20)14(21)7-15(10)26-8-9/h1-2,6-7,9,19-23H,3-5,8H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Inhibitory concentration against polymerization in A17 double mutant HIV-1 RT using a template primer of poly rC/dG12-18 and [3H]dGTP				Bioorg Med Chem Lett 11: 2763-7 (2001) BindingDB Entry DOI: 10.7270/Q2X92BTR
					More data for this Ligand-Target Pair

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