Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'haworth' and Initial = 'kr'   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50117522 ((5S,6R,9S)-5-(4-Fluoro-phenyl)-9-(2-trifluoromethy...) Show SMILES Fc1ccc(cc1)[C@@H]1NCCOC11CC[C@H](CO1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C21H21F4NO2/c22-16-7-5-14(6-8-16)19-20(27-12-11-26-19)10-9-15(13-28-20)17-3-1-2-4-18(17)21(23,24)25/h1-8,15,19,26H,9-13H2/t15-,19+,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound to human Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117508 ((5S,6R,9R)-5-(4-Fluoro-phenyl)-9-(2-trifluoromethy...) Show SMILES Fc1ccc(cc1)[C@@H]1NCCOC11CC[C@@H](CO1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C21H21F4NO2/c22-16-7-5-14(6-8-16)19-20(27-12-11-26-19)10-9-15(13-28-20)17-3-1-2-4-18(17)21(23,24)25/h1-8,15,19,26H,9-13H2/t15-,19-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound to human Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117523 (5-{(5S,10S)-5-(4-Fluoro-phenyl)-10-[2-methoxy-5-(5...) Show SMILES COc1ccc(cc1[C@H]1COCC2(C1)OCCN(Cc1n[nH]c(=O)[nH]1)[C@H]2c1ccc(F)cc1)-n1nnnc1C(F)(F)F Show InChI InChI=1S/C26H26F4N8O4/c1-40-20-7-6-18(38-23(26(28,29)30)33-35-36-38)10-19(20)16-11-25(14-41-13-16)22(15-2-4-17(27)5-3-15)37(8-9-42-25)12-21-31-24(39)34-32-21/h2-7,10,16,22H,8-9,11-14H2,1H3,(H2,31,32,34,39)/t16-,22+,25?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117509 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-[2-methoxy-5-(5...) Show SMILES COc1ccc(cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1)-n1nnnc1C(F)(F)F Show InChI InChI=1S/C23H23F4N5O3/c1-33-19-7-6-17(32-21(23(25,26)27)29-30-31-32)10-18(19)15-11-22(13-34-12-15)20(28-8-9-35-22)14-2-4-16(24)5-3-14/h2-7,10,15,20,28H,8-9,11-13H2,1H3/t15-,20+,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117515 (5-[(3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(2-methoxy-p...) Show SMILES COc1ccccc1[C@H]1COCC2(C1)OCCN(Cc1n[nH]c(=O)[nH]1)[C@H]2c1ccc(F)cc1 Show InChI InChI=1S/C24H27FN4O4/c1-31-20-5-3-2-4-19(20)17-12-24(15-32-14-17)22(16-6-8-18(25)9-7-16)29(10-11-33-24)13-21-26-23(30)28-27-21/h2-9,17,22H,10-15H2,1H3,(H2,26,27,28,30)/t17-,22+,24?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117510 (CHEMBL84881 | {5-[5-(4-Fluoro-phenyl)-9-(2-trifluo...) Show SMILES CN(C)Cc1nn[nH]c1CN1CCOC2(CCC(CO2)c2ccccc2C(F)(F)F)C1c1ccc(F)cc1 Show InChI InChI=1S/C27H31F4N5O2/c1-35(2)15-23-24(33-34-32-23)16-36-13-14-37-26(25(36)18-7-9-20(28)10-8-18)12-11-19(17-38-26)21-5-3-4-6-22(21)27(29,30)31/h3-10,19,25H,11-17H2,1-2H3,(H,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117516 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(2-methoxy-5-tr...) Show SMILES COc1ccc(cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C22H23F4NO3/c1-28-19-7-4-16(22(24,25)26)10-18(19)15-11-21(13-29-12-15)20(27-8-9-30-21)14-2-5-17(23)6-3-14/h2-7,10,15,20,27H,8-9,11-13H2,1H3/t15-,20+,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117521 (CHEMBL85626 | {5-[5-(4-Fluoro-phenyl)-9-(2-trifluo...) Show SMILES CN(C)Cc1nn[nH]c1CN1CCOC2(CCC(CO2)c2ccccc2OC(F)(F)F)C1c1ccc(F)cc1 Show InChI InChI=1S/C27H31F4N5O3/c1-35(2)15-22-23(33-34-32-22)16-36-13-14-37-26(25(36)18-7-9-20(28)10-8-18)12-11-19(17-38-26)21-5-3-4-6-24(21)39-27(29,30)31/h3-10,19,25H,11-17H2,1-2H3,(H,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117514 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(5-isopropyl-2-...) Show SMILES COc1ccc(cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C24H30FNO3/c1-16(2)18-6-9-22(27-3)21(12-18)19-13-24(15-28-14-19)23(26-10-11-29-24)17-4-7-20(25)8-5-17/h4-9,12,16,19,23,26H,10-11,13-15H2,1-3H3/t19-,23+,24?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117511 ((3S,5S,10S)-10-(5-Fluoro-2-methoxy-phenyl)-5-(4-fl...) Show SMILES COc1ccc(F)cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1 Show InChI InChI=1S/C21H23F2NO3/c1-25-19-7-6-17(23)10-18(19)15-11-21(13-26-12-15)20(24-8-9-27-21)14-2-4-16(22)5-3-14/h2-7,10,15,20,24H,8-9,11-13H2,1H3/t15-,20+,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117518 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(2-methoxy-phen...) Show SMILES COc1ccccc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1 Show InChI InChI=1S/C21H24FNO3/c1-24-19-5-3-2-4-18(19)16-12-21(14-25-13-16)20(23-10-11-26-21)15-6-8-17(22)9-7-15/h2-9,16,20,23H,10-14H2,1H3/t16-,20+,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117524 ((3S,5S,10S)-10-(2,5-Dimethoxy-phenyl)-5-(4-fluoro-...) Show SMILES COc1ccc(OC)c(c1)[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1 Show InChI InChI=1S/C22H26FNO4/c1-25-18-7-8-20(26-2)19(11-18)16-12-22(14-27-13-16)21(24-9-10-28-22)15-3-5-17(23)6-4-15/h3-8,11,16,21,24H,9-10,12-14H2,1-2H3/t16-,21+,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117506 (5-(5,9-Diphenyl-1,7-dioxa-4-aza-spiro[5.5]undec-4-...) Show SMILES O=c1[nH]nc(CN2CCOC3(CCC(CO3)c3ccccc3)C2c2ccccc2)[nH]1 Show InChI InChI=1S/C23H26N4O3/c28-22-24-20(25-26-22)15-27-13-14-29-23(21(27)18-9-5-2-6-10-18)12-11-19(16-30-23)17-7-3-1-4-8-17/h1-10,19,21H,11-16H2,(H2,24,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117507 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(2-trifluoromet...) Show SMILES Fc1ccc(cc1)[C@@H]1NCCOC11COC[C@@H](C1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C21H21F4NO2/c22-16-7-5-14(6-8-16)19-20(28-10-9-26-19)11-15(12-27-13-20)17-3-1-2-4-18(17)21(23,24)25/h1-8,15,19,26H,9-13H2/t15-,19+,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117513 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(3-trifluoromet...) Show SMILES Fc1ccc(cc1)[C@@H]1NCCOC11COC[C@@H](C1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F4NO2/c22-18-6-4-14(5-7-18)19-20(28-9-8-26-19)11-16(12-27-13-20)15-2-1-3-17(10-15)21(23,24)25/h1-7,10,16,19,26H,8-9,11-13H2/t16-,19+,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117519 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-phenyl-1,8-diox...) Show SMILES Fc1ccc(cc1)[C@@H]1NCCOC11COC[C@@H](C1)c1ccccc1 Show InChI InChI=1S/C20H22FNO2/c21-18-8-6-16(7-9-18)19-20(24-11-10-22-19)12-17(13-23-14-20)15-4-2-1-3-5-15/h1-9,17,19,22H,10-14H2/t17-,19+,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117517 (5,9-Diphenyl-1,7-dioxa-4-aza-spiro[5.5]undecane | ...) Show SMILES C1COC2(CCC(CO2)c2ccccc2)C(N1)c1ccccc1 Show InChI InChI=1S/C20H23NO2/c1-3-7-16(8-4-1)18-11-12-20(23-15-18)19(21-13-14-22-20)17-9-5-2-6-10-17/h1-10,18-19,21H,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117512 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(3-methoxy-phen...) Show SMILES COc1cccc(c1)[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1 Show InChI InChI=1S/C21H24FNO3/c1-24-19-4-2-3-16(11-19)17-12-21(14-25-13-17)20(23-9-10-26-21)15-5-7-18(22)8-6-15/h2-8,11,17,20,23H,9-10,12-14H2,1H3/t17-,20+,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117520 (5-(4-Fluoro-phenyl)-9-(3-trifluoromethyl-phenyl)-1...) Show SMILES Fc1ccc(cc1)C1NCCOC11CCC(CO1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F4NO2/c22-18-6-4-14(5-7-18)19-20(27-11-10-26-19)9-8-16(13-28-20)15-2-1-3-17(12-15)21(23,24)25/h1-7,12,16,19,26H,8-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	513	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair