Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50009621   

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 (RAT)	BDBM50409120 (CHEMBL2112044 | CHEMBL2112937) Show SMILES CN(C)CCN(C)CCNC(=O)C1CCCN1S(=O)(=O)c1ccc(NN\C([S-])=[NH+]\C(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C32H42N8O5S2/c1-37(2)21-22-38(3)20-18-33-31(41)28-15-10-19-39(28)47(44,45)26-16-17-27(29(23-26)40(42)43)35-36-32(46)34-30(24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-14,16-17,23,28,30,35H,10,15,18-22H2,1-3H3,(H,33,41)(H2,34,36,46)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes				J Med Chem 43: 769-71 (2000) BindingDB Entry DOI: 10.7270/Q2XD10W5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (RAT)	BDBM50409120 (CHEMBL2112044 | CHEMBL2112937) Show SMILES CN(C)CCN(C)CCNC(=O)C1CCCN1S(=O)(=O)c1ccc(NN\C([S-])=[NH+]\C(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C32H42N8O5S2/c1-37(2)21-22-38(3)20-18-33-31(41)28-15-10-19-39(28)47(44,45)26-16-17-27(29(23-26)40(42)43)35-36-32(46)34-30(24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-14,16-17,23,28,30,35H,10,15,18-22H2,1-3H3,(H,33,41)(H2,34,36,46)	UniProtKB/SwissProt 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
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes				J Med Chem 43: 769-71 (2000) BindingDB Entry DOI: 10.7270/Q2XD10W5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (RAT)	BDBM50085685 (4-benzhydrylamino(thioxo)methylhydrazine-3-nitrobe...) Show SMILES NC(=O)c1ccc(N[N-]C(=[SH+])NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H19N5O3S/c22-20(27)16-11-12-17(18(13-16)26(28)29)24-25-21(30)23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H5,22,23,24,25,27,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes				J Med Chem 43: 769-71 (2000) BindingDB Entry DOI: 10.7270/Q2XD10W5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (RAT)	BDBM50085684 (4-benzhydrylamino(thioxo)methylhydrazine-3-nitro-1...) Show SMILES NS(=O)(=O)c1ccc(N[N-]C(=[SH+])NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H19N5O4S2/c21-31(28,29)16-11-12-17(18(13-16)25(26)27)23-24-20(30)22-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,23H,(H4,21,22,24,28,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes				J Med Chem 43: 769-71 (2000) BindingDB Entry DOI: 10.7270/Q2XD10W5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (RAT)	BDBM50085698 (CHEMBL164636 | benzhydrylamino-2-nitrobenzylhydraz...) Show SMILES [O-][N+](=O)c1ccccc1N[N-]C(=[SH+])NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C20H18N4O2S/c25-24(26)18-14-8-7-13-17(18)22-23-20(27)21-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19,22H,(H2,21,23,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes				J Med Chem 43: 769-71 (2000) BindingDB Entry DOI: 10.7270/Q2XD10W5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (RAT)	BDBM50085696 (1N,1N-di(3-dimethylaminopropyl)-4-benzhydrylamino(...) Show SMILES CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1ccc(N[N-]C(=[SH+])NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C30H41N7O4S2/c1-34(2)19-11-21-36(22-12-20-35(3)4)43(40,41)26-17-18-27(28(23-26)37(38)39)32-33-30(42)31-29(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-18,23,29,32H,11-12,19-22H2,1-4H3,(H2,31,33,42)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes				J Med Chem 43: 769-71 (2000) BindingDB Entry DOI: 10.7270/Q2XD10W5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (RAT)	BDBM50085689 (1N-benzyl-4-benzylamino(thioxo)methylhydrazine-3-n...) Show SMILES [O-][N+](=O)c1cc(ccc1N[N-]C(=[SH+])NCc1ccccc1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C21H21N5O4S2/c27-26(28)20-13-18(32(29,30)23-15-17-9-5-2-6-10-17)11-12-19(20)24-25-21(31)22-14-16-7-3-1-4-8-16/h1-13,23-24H,14-15H2,(H2,22,25,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes				J Med Chem 43: 769-71 (2000) BindingDB Entry DOI: 10.7270/Q2XD10W5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (RAT)	BDBM50085692 (2-{4-[2-furylmethylamino(thioxo)methylhydrazine]-3...) Show SMILES [O-][N+](=O)c1cc(ccc1N[N-]C(=[SH+])NCc1ccco1)S(=O)(=O)NCc1ccco1 Show InChI InChI=1S/C17H17N5O6S2/c23-22(24)16-9-14(30(25,26)19-11-13-4-2-8-28-13)5-6-15(16)20-21-17(29)18-10-12-3-1-7-27-12/h1-9,19-20H,10-11H2,(H2,18,21,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes				J Med Chem 43: 769-71 (2000) BindingDB Entry DOI: 10.7270/Q2XD10W5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (RAT)	BDBM50085694 (CHEMBL163956 | benzylamino-2-nitrobenzylhydrazinem...) Show SMILES [O-][N+](=O)c1ccccc1N[N-]C(=[SH+])NCc1ccccc1 Show InChI InChI=1S/C14H14N4O2S/c19-18(20)13-9-5-4-8-12(13)16-17-14(21)15-10-11-6-2-1-3-7-11/h1-9,16H,10H2,(H2,15,17,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes				J Med Chem 43: 769-71 (2000) BindingDB Entry DOI: 10.7270/Q2XD10W5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (RAT)	BDBM50085690 (1-Benzyl-3-(2-nitro-benzyl)-thiourea | CHEMBL16524...) Show SMILES [O-][N+](=O)c1ccccc1C[N-]C(=[SH+])NCc1ccccc1 Show InChI InChI=1S/C15H15N3O2S/c19-18(20)14-9-5-4-8-13(14)11-17-15(21)16-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,16,17,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes				J Med Chem 43: 769-71 (2000) BindingDB Entry DOI: 10.7270/Q2XD10W5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (RAT)	BDBM50085686 (2-benzylamino(thioxo)methylhydrazinebenzoic acid |...) Show SMILES OC(=O)c1ccccc1NNC(=S)NCc1ccccc1 Show InChI InChI=1S/C15H15N3O2S/c19-14(20)12-8-4-5-9-13(12)17-18-15(21)16-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H,19,20)(H2,16,18,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes				J Med Chem 43: 769-71 (2000) BindingDB Entry DOI: 10.7270/Q2XD10W5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (RAT)	BDBM50085695 (CHEMBL164551 | N-Benzyl-3-nitro-4-[N'-(3-phenyl-th...) Show SMILES [O-][N+](=O)c1cc(ccc1N[N-]C(=[SH+])CCc1ccccc1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C22H22N4O4S2/c27-26(28)21-15-19(32(29,30)23-16-18-9-5-2-6-10-18)12-13-20(21)24-25-22(31)14-11-17-7-3-1-4-8-17/h1-10,12-13,15,23-24H,11,14,16H2,(H,25,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes				J Med Chem 43: 769-71 (2000) BindingDB Entry DOI: 10.7270/Q2XD10W5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (RAT)	BDBM50085688 (CHEMBL164914 | benzylamino-3-nitrobenzylhydrazinem...) Show SMILES [O-][N+](=O)c1cccc(N[N-]C(=[SH+])NCc2ccccc2)c1 Show InChI InChI=1S/C14H14N4O2S/c19-18(20)13-8-4-7-12(9-13)16-17-14(21)15-10-11-5-2-1-3-6-11/h1-9,16H,10H2,(H2,15,17,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes				J Med Chem 43: 769-71 (2000) BindingDB Entry DOI: 10.7270/Q2XD10W5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (RAT)	BDBM50085697 (1-Benzyl-3-(2-nitro-benzyl)-urea | CHEMBL165238) Show SMILES [O-][N+](=O)c1ccccc1CNC(=O)NCc1ccccc1 Show InChI InChI=1S/C15H15N3O3/c19-15(16-10-12-6-2-1-3-7-12)17-11-13-8-4-5-9-14(13)18(20)21/h1-9H,10-11H2,(H2,16,17,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes				J Med Chem 43: 769-71 (2000) BindingDB Entry DOI: 10.7270/Q2XD10W5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (RAT)	BDBM50085687 (CHEMBL164968 | phenyl-hydrazine-1-benzylamino-1-me...) Show SMILES S=C(NCc1ccccc1)NNc1ccccc1 Show InChI InChI=1S/C14H15N3S/c18-14(15-11-12-7-3-1-4-8-12)17-16-13-9-5-2-6-10-13/h1-10,16H,11H2,(H2,15,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes				J Med Chem 43: 769-71 (2000) BindingDB Entry DOI: 10.7270/Q2XD10W5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (RAT)	BDBM50085691 (CHEMBL350109 | N-Benzyl-2-(4-benzylsulfamoyl-2-nit...) Show SMILES [O-][N+](=O)c1cc(ccc1NCC(=[SH+])[N-]Cc1ccccc1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C22H22N4O4S2/c27-26(28)21-13-19(32(29,30)25-15-18-9-5-2-6-10-18)11-12-20(21)23-16-22(31)24-14-17-7-3-1-4-8-17/h1-13,23,25H,14-16H2,(H,24,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes				J Med Chem 43: 769-71 (2000) BindingDB Entry DOI: 10.7270/Q2XD10W5
					More data for this Ligand-Target Pair