Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 8914   

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
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM428851 (US10532048, Example 236) Show SMILES C[C@@H](NC(=O)[C@H]1[C@@H](N([C@H]2CCCC[C@@H]2NS(C)(=O)=O)C(=O)c2ccccc12)c1ccc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C31H33Cl2N3O4S/c1-19(20-10-4-3-5-11-20)34-30(37)28-22-12-6-7-13-23(22)31(38)36(29(28)24-17-16-21(32)18-25(24)33)27-15-9-8-14-26(27)35-41(2,39)40/h3-7,10-13,16-19,26-29,35H,8-9,14-15H2,1-2H3,(H,34,37)/t19-,26+,27+,28-,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Seldar Pharma Inc. US Patent					Assay Description A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...				US Patent US10532048 (2020) BindingDB Entry DOI: 10.7270/Q22R3V1R
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM428855 (US10532048, Example 631) Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)[N-]OCc2cccc(OCC([O-])=O)c2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C32H33Cl2N3O8S/c1-46(42,43)36-26-11-4-5-12-27(26)37-30(24-14-13-20(33)16-25(24)34)29(22-9-2-3-10-23(22)32(37)41)31(40)35-45-17-19-7-6-8-21(15-19)44-18-28(38)39/h2-3,6-10,13-16,26-27,29-30,36H,4-5,11-12,17-18H2,1H3,(H2,35,38,39,40)/p-2/t26-,27-,29+,30-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Seldar Pharma Inc. US Patent					Assay Description A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...				US Patent US10532048 (2020) BindingDB Entry DOI: 10.7270/Q22R3V1R
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM428852 (US10532048, Example 542) Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)[N-]OCc2cc(cs2)C([O-])=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C29H29Cl2N3O7S2/c1-43(39,40)33-23-8-4-5-9-24(23)34-26(21-11-10-17(30)13-22(21)31)25(19-6-2-3-7-20(19)28(34)36)27(35)32-41-14-18-12-16(15-42-18)29(37)38/h2-3,6-7,10-13,15,23-26,33H,4-5,8-9,14H2,1H3,(H2,32,35,37,38)/p-2/t23-,24-,25+,26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Seldar Pharma Inc. US Patent					Assay Description A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...				US Patent US10532048 (2020) BindingDB Entry DOI: 10.7270/Q22R3V1R
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM428853 (US10532048, Example 560) Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NOCc2cccc(c2)C(O)=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C31H31Cl2N3O7S/c1-44(41,42)35-25-11-4-5-12-26(25)36-28(23-14-13-20(32)16-24(23)33)27(21-9-2-3-10-22(21)30(36)38)29(37)34-43-17-18-7-6-8-19(15-18)31(39)40/h2-3,6-10,13-16,25-28,35H,4-5,11-12,17H2,1H3,(H,34,37)(H,39,40)/t25-,26-,27+,28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Seldar Pharma Inc. US Patent					Assay Description A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...				US Patent US10532048 (2020) BindingDB Entry DOI: 10.7270/Q22R3V1R
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM428854 (US10532048, Example 589) Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NOCc2ccccn2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C29H30Cl2N4O5S/c1-41(38,39)34-24-11-4-5-12-25(24)35-27(22-14-13-18(30)16-23(22)31)26(20-9-2-3-10-21(20)29(35)37)28(36)33-40-17-19-8-6-7-15-32-19/h2-3,6-10,13-16,24-27,34H,4-5,11-12,17H2,1H3,(H,33,36)/t24-,25-,26+,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Seldar Pharma Inc. US Patent					Assay Description A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...				US Patent US10532048 (2020) BindingDB Entry DOI: 10.7270/Q22R3V1R
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM428856 (US10532048, Example 700) Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NCCc2cccc(c2)C(=O)NS(C)(=O)=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C33H36Cl2N4O7S2/c1-47(43,44)37-27-12-5-6-13-28(27)39-30(25-15-14-22(34)19-26(25)35)29(23-10-3-4-11-24(23)33(39)42)32(41)36-17-16-20-8-7-9-21(18-20)31(40)38-48(2,45)46/h3-4,7-11,14-15,18-19,27-30,37H,5-6,12-13,16-17H2,1-2H3,(H,36,41)(H,38,40)/t27-,28-,29+,30-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Seldar Pharma Inc. US Patent					Assay Description A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...				US Patent US10532048 (2020) BindingDB Entry DOI: 10.7270/Q22R3V1R
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM428859 (US10532048, Example 712) Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NOCc2ccc(cc2)C(F)(F)C(O)=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C32H31Cl2F2N3O7S/c1-47(44,45)38-25-8-4-5-9-26(25)39-28(23-15-14-20(33)16-24(23)34)27(21-6-2-3-7-22(21)30(39)41)29(40)37-46-17-18-10-12-19(13-11-18)32(35,36)31(42)43/h2-3,6-7,10-16,25-28,38H,4-5,8-9,17H2,1H3,(H,37,40)(H,42,43)/t25-,26-,27+,28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Seldar Pharma Inc. US Patent					Assay Description A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...				US Patent US10532048 (2020) BindingDB Entry DOI: 10.7270/Q22R3V1R
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM428860 (US10532048, Example 856) Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NOCc2ccc(CC(O)=O)cc2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C32H33Cl2N3O7S/c1-45(42,43)36-26-8-4-5-9-27(26)37-30(24-15-14-21(33)17-25(24)34)29(22-6-2-3-7-23(22)32(37)41)31(40)35-44-18-20-12-10-19(11-13-20)16-28(38)39/h2-3,6-7,10-15,17,26-27,29-30,36H,4-5,8-9,16,18H2,1H3,(H,35,40)(H,38,39)/t26-,27-,29+,30-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Seldar Pharma Inc. US Patent					Assay Description A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...				US Patent US10532048 (2020) BindingDB Entry DOI: 10.7270/Q22R3V1R
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM428857 (US10532048, Example 701) Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NCCc2ccc(CC(O)=O)cc2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C33H35Cl2N3O6S/c1-45(43,44)37-27-8-4-5-9-28(27)38-31(25-15-14-22(34)19-26(25)35)30(23-6-2-3-7-24(23)33(38)42)32(41)36-17-16-20-10-12-21(13-11-20)18-29(39)40/h2-3,6-7,10-15,19,27-28,30-31,37H,4-5,8-9,16-18H2,1H3,(H,36,41)(H,39,40)/t27-,28-,30+,31-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Seldar Pharma Inc. US Patent					Assay Description A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...				US Patent US10532048 (2020) BindingDB Entry DOI: 10.7270/Q22R3V1R
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM428858 (US10532048, Example 709) Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NOCc2ccc(OCCCC(O)=O)cc2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C34H37Cl2N3O8S/c1-48(44,45)38-28-9-4-5-10-29(28)39-32(26-17-14-22(35)19-27(26)36)31(24-7-2-3-8-25(24)34(39)43)33(42)37-47-20-21-12-15-23(16-13-21)46-18-6-11-30(40)41/h2-3,7-8,12-17,19,28-29,31-32,38H,4-6,9-11,18,20H2,1H3,(H,37,42)(H,40,41)/t28-,29-,31+,32-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Seldar Pharma Inc. US Patent					Assay Description A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...				US Patent US10532048 (2020) BindingDB Entry DOI: 10.7270/Q22R3V1R
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM428841 (US10532048, Example 61) Show SMILES OC[C@H](Cc1ccccc1)N1[C@H]([C@H](C(=O)NCCc2ccccn2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C32H29Cl2N3O3/c33-22-13-14-27(28(34)19-22)30-29(31(39)36-17-15-23-10-6-7-16-35-23)25-11-4-5-12-26(25)32(40)37(30)24(20-38)18-21-8-2-1-3-9-21/h1-14,16,19,24,29-30,38H,15,17-18,20H2,(H,36,39)/t24-,29+,30-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.8	n/a	n/a	n/a	n/a	n/a	n/a
Seldar Pharma Inc. US Patent					Assay Description A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...				US Patent US10532048 (2020) BindingDB Entry DOI: 10.7270/Q22R3V1R
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM428850 (US10532048, Example 62) Show SMILES OC[C@@H](N1[C@H]([C@H](C(=O)NCCc2ccccc2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C32H28Cl2N2O3/c33-23-15-16-26(27(34)19-23)30-29(31(38)35-18-17-21-9-3-1-4-10-21)24-13-7-8-14-25(24)32(39)36(30)28(20-37)22-11-5-2-6-12-22/h1-16,19,28-30,37H,17-18,20H2,(H,35,38)/t28-,29-,30+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.3	n/a	n/a	n/a	n/a	n/a	n/a
Seldar Pharma Inc. US Patent					Assay Description A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...				US Patent US10532048 (2020) BindingDB Entry DOI: 10.7270/Q22R3V1R
					More data for this Ligand-Target Pair