Compile Data Set for Download or QSAR

Found 262 hits with Last Name = 'rausch' and Initial = 'a'   

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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395298 (6-(Difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-...) Show SMILES CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)F)c(cc2n1)C(C)(C)O Show InChI InChI=1S/C22H26F2N4O3/c1-21(2,30)8-9-28-12-13-10-18(14(22(3,4)31)11-17(13)27-28)26-20(29)16-7-5-6-15(25-16)19(23)24/h5-7,10-12,19,30-31H,8-9H2,1-4H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				Bioorg Med Chem Lett 19: 3550-4 (2009) BindingDB Entry DOI: 10.7270/Q2J67K7G
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395298 (6-(Difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-...) Show SMILES CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)F)c(cc2n1)C(C)(C)O Show InChI InChI=1S/C22H26F2N4O3/c1-21(2,30)8-9-28-12-13-10-18(14(22(3,4)31)11-17(13)27-28)26-20(29)16-7-5-6-15(25-16)19(23)24/h5-7,10-12,19,30-31H,8-9H2,1-4H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				US Patent US10793545 (2020) BindingDB Entry DOI: 10.7270/Q29S1V3D
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614685 (2-(1-Cyclobutyl- 1H-pyrazol-4- yl)-3-fluoro-5- [({...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(OC(F)(F)F)cc2F)cc(F)c1-c1cnn(c1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614791 (2-(2-Cyclobutyl- 1,3-thiazol-5-yl)- 5-[({1-[2-fluo...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(OC(F)(F)F)cc2F)ccc1-c1cnc(s1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614804 (2-(2-Cyclobutyl- 1,3-thiazol-5-yl)- 3-fluoro-5-[({...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(cc2F)C(F)(F)F)cc(F)c1-c1cnc(s1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614790 (2-(2-Cyclobutyl- 1,3-thiazol-5-yl)- 5-[({1-[2-fluo...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(cc2F)C(F)(F)F)ccc1-c1cnc(s1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614803 (2-(2-Cyclopentyl- 1,3-thiazol-5-yl)- 5-[({1-[2-flu...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(cc2F)C(F)(F)F)ccc1-c1cnc(s1)C1CCCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395296 (N-[2-(3-Hydroxy-3-methylbutyl)-6-(2-hydroxypropan-...) Show SMILES CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O Show InChI InChI=1S/C22H25F3N4O3/c1-20(2,31)8-9-29-12-13-10-17(14(21(3,4)32)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				Bioorg Med Chem Lett 19: 3550-4 (2009) BindingDB Entry DOI: 10.7270/Q2J67K7G
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395296 (N-[2-(3-Hydroxy-3-methylbutyl)-6-(2-hydroxypropan-...) Show SMILES CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O Show InChI InChI=1S/C22H25F3N4O3/c1-20(2,31)8-9-29-12-13-10-17(14(21(3,4)32)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				US Patent US10793545 (2020) BindingDB Entry DOI: 10.7270/Q29S1V3D
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614743 (3-Chloro-2-(1- cyclobutyl-1H- pyrazol-4-yl)-5- [({...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(OC(F)(F)F)cc2F)cc(Cl)c1-c1cnn(c1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395307 (N-{2-[2-(1-Hydroxycyclopropyl)ethyl]-6-(2-hydroxyp...) Show SMILES CC(C)(O)c1cc2nn(CCC3(O)CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C22H23F3N4O3/c1-20(2,31)14-11-16-13(12-29(28-16)9-8-21(32)6-7-21)10-17(14)27-19(30)15-4-3-5-18(26-15)22(23,24)25/h3-5,10-12,31-32H,6-9H2,1-2H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				US Patent US10793545 (2020) BindingDB Entry DOI: 10.7270/Q29S1V3D
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395307 (N-{2-[2-(1-Hydroxycyclopropyl)ethyl]-6-(2-hydroxyp...) Show SMILES CC(C)(O)c1cc2nn(CCC3(O)CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C22H23F3N4O3/c1-20(2,31)14-11-16-13(12-29(28-16)9-8-21(32)6-7-21)10-17(14)27-19(30)15-4-3-5-18(26-15)22(23,24)25/h3-5,10-12,31-32H,6-9H2,1-2H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				Bioorg Med Chem Lett 19: 3550-4 (2009) BindingDB Entry DOI: 10.7270/Q2J67K7G
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614788 (5-({[1-(4-Chloro- 2- fluorophenyl) cyclopropyl] ca...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(Cl)cc2F)ccc1-c1cnc(s1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614683 (5-({[1-(4- Chloro-2- fluorophenyl) cyclopropyl] ca...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(Cl)cc2F)cc(F)c1-c1cnn(c1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614684 (2-(1-Cyclobutyl- 1H-pyrazol-4- yl)-3-fluoro-5- [({...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(cc2F)C(F)(F)F)cc(F)c1-c1cnn(c1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614743 (3-Chloro-2-(1- cyclobutyl-1H- pyrazol-4-yl)-5- [({...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(OC(F)(F)F)cc2F)cc(Cl)c1-c1cnn(c1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614679 (2-(1-Cyclobutyl- 1H-pyrazol-4- yl)-3-fluoro-5- [({...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(OC(F)(F)F)cc2)cc(F)c1-c1cnn(c1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614667 (2-(1-Cyclobutyl- 1H-pyrazol-4- yl)-3-fluoro-5- ({[...) Show SMILES Cc1ccc(c(F)c1)C1(CC1)C(=O)Nc1cc(F)c(-c2cnn(c2)C2CCC2)c(c1)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614678 (2-(1-Cyclobutyl- 1H-pyrazol-4- yl)-3-fluoro-5- [({...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(cc2)C(F)(F)F)cc(F)c1-c1cnn(c1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614681 (2-(1-Cyclobutyl- 1H-pyrazol-4- yl)-3-fluoro-5- [({...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(c(F)c2)C(F)(F)F)cc(F)c1-c1cnn(c1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614684 (2-(1-Cyclobutyl- 1H-pyrazol-4- yl)-3-fluoro-5- [({...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(cc2F)C(F)(F)F)cc(F)c1-c1cnn(c1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614643 (US20230271931, Example 1) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(cc2F)C(F)(F)F)cc(F)c1-c1cc2ccccc2s1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614685 (2-(1-Cyclobutyl- 1H-pyrazol-4- yl)-3-fluoro-5- [({...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(OC(F)(F)F)cc2F)cc(F)c1-c1cnn(c1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395288 (N-[6-(2-Hydroxypropan-2-yl)-2-(3-methoxypropyl)-2H...) Show SMILES COCCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O Show InChI InChI=1S/C21H23F3N4O3/c1-20(2,30)14-11-16-13(12-28(27-16)8-5-9-31-3)10-17(14)26-19(29)15-6-4-7-18(25-15)21(22,23)24/h4,6-7,10-12,30H,5,8-9H2,1-3H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				Bioorg Med Chem Lett 19: 3550-4 (2009) BindingDB Entry DOI: 10.7270/Q2J67K7G
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395288 (N-[6-(2-Hydroxypropan-2-yl)-2-(3-methoxypropyl)-2H...) Show SMILES COCCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O Show InChI InChI=1S/C21H23F3N4O3/c1-20(2,30)14-11-16-13(12-28(27-16)8-5-9-31-3)10-17(14)26-19(29)15-6-4-7-18(25-15)21(22,23)24/h4,6-7,10-12,30H,5,8-9H2,1-3H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				US Patent US10793545 (2020) BindingDB Entry DOI: 10.7270/Q29S1V3D
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614733 (2-(4-tert-Butyl- 1H-imidazol-1- yl)-3-fluoro-5- [(...) Show SMILES CC(C)(C)c1cn(cn1)-c1c(F)cc(NC(=O)C2(CC2)c2ccc(OC(F)(F)F)cc2F)cc1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614644 (US20230271931, Example 2 | US20230271931, Example ...) Show SMILES CCC(F)(F)c1ccc(cn1)-c1c(F)cc(NC(=O)C2(CC2)c2ccc(cc2F)C(F)(F)F)cc1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614794 (5-[({1-[2-Fluoro- 4- (trifluoromethoxy) phenyl]cyc...) Show SMILES CC1(Cn2cc(cn2)-c2ccc(NC(=O)C3(CC3)c3ccc(OC(F)(F)F)cc3F)cc2C(O)=O)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614748 (3-Chloro-2-[6- (1,1- difluoropropyl) pyridin-3-yl]...) Show SMILES CCC(F)(F)c1ccc(cn1)-c1c(Cl)cc(NC(=O)C2(CC2)c2ccc(OC(F)(F)F)cc2F)cc1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614795 (2-[1-(1- Cyclopropylethyl)- 1H-pyrazol-4-yl]- 5-[(...) Show SMILES CC(C1CC1)n1cc(cn1)-c1ccc(NC(=O)C2(CC2)c2ccc(cc2F)C(F)(F)F)cc1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614683 (5-({[1-(4- Chloro-2- fluorophenyl) cyclopropyl] ca...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(Cl)cc2F)cc(F)c1-c1cnn(c1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614742 (3-Chloro-2-(1- cyclobutyl-1H- pyrazol-4-yl)-5- [({...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(cc2F)C(F)(F)F)cc(Cl)c1-c1cnn(c1)C1CCC1 Show InChI	PDB 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
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395304 (5-Fluoro-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydro...) Show SMILES Cc1nc(ccc1F)C(=O)Nc1cc2cn(CCC(C)(C)O)nc2cc1C(C)(C)O Show InChI InChI=1S/C22H27FN4O3/c1-13-16(23)6-7-17(24-13)20(28)25-19-10-14-12-27(9-8-21(2,3)29)26-18(14)11-15(19)22(4,5)30/h6-7,10-12,29-30H,8-9H2,1-5H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Amgen					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				Bioorg Med Chem Lett 19: 3550-4 (2009) BindingDB Entry DOI: 10.7270/Q2J67K7G
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395304 (5-Fluoro-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydro...) Show SMILES Cc1nc(ccc1F)C(=O)Nc1cc2cn(CCC(C)(C)O)nc2cc1C(C)(C)O Show InChI InChI=1S/C22H27FN4O3/c1-13-16(23)6-7-17(24-13)20(28)25-19-10-14-12-27(9-8-21(2,3)29)26-18(14)11-15(19)22(4,5)30/h6-7,10-12,29-30H,8-9H2,1-5H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bayer Pharma Aktiengesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				US Patent US10793545 (2020) BindingDB Entry DOI: 10.7270/Q29S1V3D
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614730 (3-Fluoro-5-[({1- [2-fluoro-4- (trifluoromethyl) ph...) Show SMILES CC(C)n1cc(cn1)-c1c(F)cc(NC(=O)C2(CC2)c2ccc(cc2F)C(F)(F)F)cc1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614739 (2-[6-(1,1- Difluoropropyl) pyridin-3-yl]-3- fluoro...) Show SMILES CCC(F)(F)c1ccc(cn1)-c1c(F)cc(NC(=O)C2(CC2)c2ccc(OC(F)(F)F)cc2F)cc1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395297 (N-{6-(2-Hydroxypropan-2-yl)-2-[2-(methylsulphonyl)...) Show SMILES CC(C)(O)c1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C20H21F3N4O4S/c1-19(2,29)13-10-15-12(11-27(26-15)7-8-32(3,30)31)9-16(13)25-18(28)14-5-4-6-17(24-14)20(21,22)23/h4-6,9-11,29H,7-8H2,1-3H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	10.7	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				Bioorg Med Chem Lett 19: 3550-4 (2009) BindingDB Entry DOI: 10.7270/Q2J67K7G
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395297 (N-{6-(2-Hydroxypropan-2-yl)-2-[2-(methylsulphonyl)...) Show SMILES CC(C)(O)c1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C20H21F3N4O4S/c1-19(2,29)13-10-15-12(11-27(26-15)7-8-32(3,30)31)9-16(13)25-18(28)14-5-4-6-17(24-14)20(21,22)23/h4-6,9-11,29H,7-8H2,1-3H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	10.7	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				US Patent US10793545 (2020) BindingDB Entry DOI: 10.7270/Q29S1V3D
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395299 (6-(Difluoromethyl)-N-{6-(2-hydroxypropan-2-yl)-2-[...) Show SMILES CC(C)(O)c1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)F Show InChI InChI=1S/C20H22F2N4O4S/c1-20(2,28)13-10-16-12(11-26(25-16)7-8-31(3,29)30)9-17(13)24-19(27)15-6-4-5-14(23-15)18(21)22/h4-6,9-11,18,28H,7-8H2,1-3H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.8	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				US Patent US10793545 (2020) BindingDB Entry DOI: 10.7270/Q29S1V3D
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395299 (6-(Difluoromethyl)-N-{6-(2-hydroxypropan-2-yl)-2-[...) Show SMILES CC(C)(O)c1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)F Show InChI InChI=1S/C20H22F2N4O4S/c1-20(2,28)13-10-16-12(11-26(25-16)7-8-31(3,29)30)9-17(13)24-19(27)15-6-4-5-14(23-15)18(21)22/h4-6,9-11,18,28H,7-8H2,1-3H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.8	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				Bioorg Med Chem Lett 19: 3550-4 (2009) BindingDB Entry DOI: 10.7270/Q2J67K7G
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614717 (5-[({1-[2-Fluoro- 4- (trifluoromethoxy) phenyl]cy...) Show SMILES CC(C)Cn1cc(cn1)-c1ccc(NC(=O)C2(CC2)c2ccc(OC(F)(F)F)cc2F)cc1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614682 (2-(1-Cyclobutyl- 1H-pyrazol-4- yl)-5-({[1-(2,4- di...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(F)cc2F)cc(F)c1-c1cnn(c1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614718 (2-[1-(2,2- Dimethylpropyl)- 1H-pyrazol-4- yl]-5-[(...) Show SMILES CC(C)(C)Cn1cc(cn1)-c1ccc(NC(=O)C2(CC2)c2ccc(cc2F)C(F)(F)F)cc1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614769 (2-[1- (Cyclopropyl- methyl)- 1H-pyrazol- 4-yl]-3-...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(OC(F)(F)F)cc2F)cc(F)c1-c1cnn(CC2CC2)c1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614645 (US20230271931, Example 3) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(cc2F)C(F)(F)F)ccc1-c1cnn(c1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395300 (6-(Difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(...) Show SMILES CC(C)(O)c1cc2nn(CCCO)cc2cc1NC(=O)c1cccc(n1)C(F)F Show InChI InChI=1S/C20H22F2N4O3/c1-20(2,29)13-10-16-12(11-26(25-16)7-4-8-27)9-17(13)24-19(28)15-6-3-5-14(23-15)18(21)22/h3,5-6,9-11,18,27,29H,4,7-8H2,1-2H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				US Patent US10793545 (2020) BindingDB Entry DOI: 10.7270/Q29S1V3D
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM395300 (6-(Difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(...) Show SMILES CC(C)(O)c1cc2nn(CCCO)cc2cc1NC(=O)c1cccc(n1)C(F)F Show InChI InChI=1S/C20H22F2N4O3/c1-20(2,29)13-10-16-12(11-26(25-16)7-4-8-27)9-17(13)24-19(28)15-6-3-5-14(23-15)18(21)22/h3,5-6,9-11,18,27,29H,4,7-8H2,1-2H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...				Bioorg Med Chem Lett 19: 3550-4 (2009) BindingDB Entry DOI: 10.7270/Q2J67K7G
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614764 (2-(1-Cyclohexyl- 1H-pyrazol-4- yl)-5-[({1-[2- fluo...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(cc2F)C(F)(F)F)ccc1-c1cnn(c1)C1CCCCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614750 (2-(1-Cyclobutyl- 1H-pyrazol-4- yl)-5-[({1-[2- fluo...) Show SMILES Cc1cc(NC(=O)C2(CC2)c2ccc(OC(F)(F)F)cc2F)cc(C(O)=O)c1-c1cnn(c1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM614742 (3-Chloro-2-(1- cyclobutyl-1H- pyrazol-4-yl)-5- [({...) Show SMILES OC(=O)c1cc(NC(=O)C2(CC2)c2ccc(cc2F)C(F)(F)F)cc(Cl)c1-c1cnn(c1)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2ZK5MST
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 262 total )  |  Next  |  Last  >>

Jump to: