Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50000027   

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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50239342 (CHEMBL4075127) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2ccccc12 |r| Show InChI InChI=1S/C25H24N2O3/c1-17-7-2-3-8-20(17)24(29)26-19-14-12-18(13-15-19)25(30)27-16-6-11-23(28)21-9-4-5-10-22(21)27/h2-5,7-10,12-15,23,28H,6,11,16H2,1H3,(H,26,29)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50052910 (CHEMBL118271 | N-[4-(5-Hydroxy-2,3,4,5-tetrahydro-...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2ccccc12 Show InChI InChI=1S/C25H24N2O3/c1-17-7-2-3-8-20(17)24(29)26-19-14-12-18(13-15-19)25(30)27-16-6-11-23(28)21-9-4-5-10-22(21)27/h2-5,7-10,12-15,23,28H,6,11,16H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50239349 (CHEMBL4104877) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](O)c2ccccc12 |r| Show InChI InChI=1S/C25H24N2O3/c1-17-7-2-3-8-20(17)24(29)26-19-14-12-18(13-15-19)25(30)27-16-6-11-23(28)21-9-4-5-10-22(21)27/h2-5,7-10,12-15,23,28H,6,11,16H2,1H3,(H,26,29)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50239344 (CHEMBL4094707) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](O)c2c(C)cccc12 |r,@@:18| Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)24-18(2)8-5-10-22(24)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50239346 (CHEMBL4064556) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2cccc(C)c12 |r,@@:18| Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)22-10-5-8-18(2)24(22)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50239347 (CHEMBL4086079) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](O)c2cccc(C)c12 |r,@:18| Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)22-10-5-8-18(2)24(22)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50239349 (CHEMBL4104877) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](O)c2ccccc12 |r| Show InChI InChI=1S/C25H24N2O3/c1-17-7-2-3-8-20(17)24(29)26-19-14-12-18(13-15-19)25(30)27-16-6-11-23(28)21-9-4-5-10-22(21)27/h2-5,7-10,12-15,23,28H,6,11,16H2,1H3,(H,26,29)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50239348 (CHEMBL4102459) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2cccc(C)c12 Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)22-10-5-8-18(2)24(22)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50239343 (CHEMBL4076436) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2c(C)cccc12 Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)24-18(2)8-5-10-22(24)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50052910 (CHEMBL118271 | N-[4-(5-Hydroxy-2,3,4,5-tetrahydro-...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2ccccc12 Show InChI InChI=1S/C25H24N2O3/c1-17-7-2-3-8-20(17)24(29)26-19-14-12-18(13-15-19)25(30)27-16-6-11-23(28)21-9-4-5-10-22(21)27/h2-5,7-10,12-15,23,28H,6,11,16H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50239342 (CHEMBL4075127) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2ccccc12 |r| Show InChI InChI=1S/C25H24N2O3/c1-17-7-2-3-8-20(17)24(29)26-19-14-12-18(13-15-19)25(30)27-16-6-11-23(28)21-9-4-5-10-22(21)27/h2-5,7-10,12-15,23,28H,6,11,16H2,1H3,(H,26,29)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50239344 (CHEMBL4094707) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](O)c2c(C)cccc12 |r,@@:18| Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)24-18(2)8-5-10-22(24)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50239347 (CHEMBL4086079) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](O)c2cccc(C)c12 |r,@:18| Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)22-10-5-8-18(2)24(22)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50239345 (CHEMBL4078185) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2c(C)cccc12 |r,@:18| Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)24-18(2)8-5-10-22(24)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50239346 (CHEMBL4064556) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2cccc(C)c12 |r,@@:18| Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)22-10-5-8-18(2)24(22)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50239343 (CHEMBL4076436) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2c(C)cccc12 Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)24-18(2)8-5-10-22(24)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50239348 (CHEMBL4102459) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2cccc(C)c12 Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)22-10-5-8-18(2)24(22)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50239345 (CHEMBL4078185) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2c(C)cccc12 |r,@:18| Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)24-18(2)8-5-10-22(24)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...				J Med Chem 60: 4503-4509 (2017) Article DOI: 10.1021/acs.jmedchem.7b00422 BindingDB Entry DOI: 10.7270/Q27946TN
					More data for this Ligand-Target Pair