Compile Data Set for Download or QSAR

Found 877 hits with Last Name = 'marco' and Initial = 'c'   

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
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50156455 ((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...) Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12 |r,t:27| Show InChI InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.00780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor E273 mutant				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50156455 ((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...) Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12 |r,t:27| Show InChI InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50156455 ((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...) Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12 |r,t:27| Show InChI InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor N298 mutant				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50184183 (3,3'-difluoro-4'-{[5-(4-pyridin-4-yl-piperazine-1-...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC2)c2ccncc2)c(F)c1 Show InChI InChI=1S/C30H27F2N5O3/c1-40-30(39)28-24(3-2-4-25(28)31)20-5-6-21(26(32)17-20)18-34-27-8-7-22(19-35-27)29(38)37-15-13-36(14-16-37)23-9-11-33-12-10-23/h2-12,17,19H,13-16,18H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50156455 ((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...) Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12 |r,t:27| Show InChI InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor D291 mutant				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50184183 (3,3'-difluoro-4'-{[5-(4-pyridin-4-yl-piperazine-1-...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC2)c2ccncc2)c(F)c1 Show InChI InChI=1S/C30H27F2N5O3/c1-40-30(39)28-24(3-2-4-25(28)31)20-5-6-21(26(32)17-20)18-34-27-8-7-22(19-35-27)29(38)37-15-13-36(14-16-37)23-9-11-33-12-10-23/h2-12,17,19H,13-16,18H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor E273 mutant				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50184183 (3,3'-difluoro-4'-{[5-(4-pyridin-4-yl-piperazine-1-...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC2)c2ccncc2)c(F)c1 Show InChI InChI=1S/C30H27F2N5O3/c1-40-30(39)28-24(3-2-4-25(28)31)20-5-6-21(26(32)17-20)18-34-27-8-7-22(19-35-27)29(38)37-15-13-36(14-16-37)23-9-11-33-12-10-23/h2-12,17,19H,13-16,18H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor D291 mutant				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202421 (3,3'-difluoro-4'-((R)-1-{[1-(3,3,3-trifluoro-propi...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)CC(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C23H21F5N2O4/c1-12(29-21(33)22(8-9-22)30-18(31)11-23(26,27)28)14-7-6-13(10-17(14)25)15-4-3-5-16(24)19(15)20(32)34-2/h3-7,10,12H,8-9,11H2,1-2H3,(H,29,33)(H,30,31)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371651 (CHEMBL410281) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cc(Cl)no1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C23H18Cl3F3N4O4/c1-10(31-22(35)23(2-3-23)32-21(34)16-7-17(26)33-37-16)19-15(27)4-11(8-30-19)13-5-12(24)6-14(25)20(13)36-9-18(28)29/h4-8,10,18H,2-3,9H2,1H3,(H,31,35)(H,32,34)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in rat CNS				Bioorg Med Chem Lett 18: 682-7 (2008) BindingDB Entry DOI: 10.7270/Q29024NB
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371643 (CHEMBL272278) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C22H18Cl2F6N2O3/c1-10(31-19(33)21(4-5-21)32-20(34)22(28,29)30)13-3-2-11(6-16(13)25)14-7-12(23)8-15(24)18(14)35-9-17(26)27/h2-3,6-8,10,17H,4-5,9H2,1H3,(H,31,33)(H,32,34)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in rat CNS				Bioorg Med Chem Lett 18: 682-7 (2008) BindingDB Entry DOI: 10.7270/Q29024NB
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50084394 (CHEMBL3426145) Show SMILES CSc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1 |r| Show InChI InChI=1S/C21H23N5O2S/c1-15-7-8-16(28-20-13-17(29-2)9-10-22-20)14-25(15)21(27)18-5-3-4-6-19(18)26-23-11-12-24-26/h3-6,9-13,15-16H,7-8,14H2,1-2H3/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-(S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...				Bioorg Med Chem Lett 25: 2488-92 (2015) Article DOI: 10.1016/j.bmcl.2015.04.066 BindingDB Entry DOI: 10.7270/Q28S4RN5
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50413761 (CHEMBL390094) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C52H68N10O12S2/c1-28(2)42(51(73)74)61-49(71)40-27-75-76-52(3,4)43(62-44(66)34(54)25-41(64)65)50(72)59-38(22-29-12-6-5-7-13-29)46(68)58-39(24-31-26-55-35-15-9-8-14-33(31)35)48(70)56-36(16-10-11-21-53)45(67)57-37(47(69)60-40)23-30-17-19-32(63)20-18-30/h5-9,12-15,17-20,26,28,34,36-40,42-43,55,63H,10-11,16,21-25,27,53-54H2,1-4H3,(H,56,70)(H,57,67)(H,58,68)(H,59,72)(H,60,69)(H,61,71)(H,62,66)(H,64,65)(H,73,74)/t34-,36-,37-,38-,39-,40-,42-,43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting				J Med Chem 52: 3927-40 (2009) Article DOI: 10.1021/jm900148c BindingDB Entry DOI: 10.7270/Q27W6DFT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM104689 (US8569311, A-9) Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H24FN5O2/c1-15-3-7-20(28-25-9-10-26-28)19(11-15)22(29)27-13-17(5-4-16(27)2)14-30-21-8-6-18(23)12-24-21/h3,6-12,16-17H,4-5,13-14H2,1-2H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human OX2 receptor in cell membrane by in vitro radioligand binding assay				Bioorg Med Chem Lett 24: 1784-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.026 BindingDB Entry DOI: 10.7270/Q2RV0Q6F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50084384 (CHEMBL3426135) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C21H20F3N5O2/c1-14-6-7-16(31-19-12-15(8-9-25-19)21(22,23)24)13-28(14)20(30)17-4-2-3-5-18(17)29-26-10-11-27-29/h2-5,8-12,14,16H,6-7,13H2,1H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-(S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...				Bioorg Med Chem Lett 25: 2488-92 (2015) Article DOI: 10.1016/j.bmcl.2015.04.066 BindingDB Entry DOI: 10.7270/Q28S4RN5
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50413760 (CHEMBL426020) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H64N10O12S2/c1-27(2)42(50(71)72)60-49(70)40-26-74-73-25-39(58-43(64)33(52)23-41(62)63)48(69)56-36(20-28-10-4-3-5-11-28)45(66)57-38(22-30-24-53-34-13-7-6-12-32(30)34)47(68)54-35(14-8-9-19-51)44(65)55-37(46(67)59-40)21-29-15-17-31(61)18-16-29/h3-7,10-13,15-18,24,27,33,35-40,42,53,61H,8-9,14,19-23,25-26,51-52H2,1-2H3,(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,60,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39+,40-,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting				J Med Chem 52: 3927-40 (2009) Article DOI: 10.1021/jm900148c BindingDB Entry DOI: 10.7270/Q27W6DFT
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50413764 (CHEMBL504097) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C57H72N10O10S2/c1-33(2)47(56(76)77)66-54(74)46-32-78-79-57(3,4)48(67-49(69)40(59)27-34-15-7-5-8-16-34)55(75)64-44(28-35-17-9-6-10-18-35)51(71)63-45(30-37-31-60-41-20-12-11-19-39(37)41)53(73)61-42(21-13-14-26-58)50(70)62-43(52(72)65-46)29-36-22-24-38(68)25-23-36/h5-12,15-20,22-25,31,33,40,42-48,60,68H,13-14,21,26-30,32,58-59H2,1-4H3,(H,61,73)(H,62,70)(H,63,71)(H,64,75)(H,65,72)(H,66,74)(H,67,69)(H,76,77)/t40-,42-,43-,44-,45-,46-,47-,48-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting				J Med Chem 52: 3927-40 (2009) Article DOI: 10.1021/jm900148c BindingDB Entry DOI: 10.7270/Q27W6DFT
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371333 (CHEMBL256671) Show SMILES COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C19H16Cl2F4N2O4/c1-8(27-17(29)18(2,30)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16(28)31-3/h4-8,30H,1-3H3,(H,27,29)/t8-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 716-20 (2008) Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM158195 (US9029364, 1) Show SMILES C[C@@H]1CS[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-n1nccn1 Show InChI InChI=1S/C21H22FN5O2S/c1-14-3-5-19(27-24-7-8-25-27)18(9-14)21(28)26-11-17(30-13-15(26)2)12-29-20-6-4-16(22)10-23-20/h3-10,15,17H,11-13H2,1-2H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...				US Patent US9029364 (2015) BindingDB Entry DOI: 10.7270/Q2SF2TX1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50265335 (CHEMBL496530 | N-((R)-1-(5-(5-chloro-3-fluoro-2-(2...) Show SMILES C[C@@H](NC(=O)C1(O)CCSC1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C20H19ClF2N6O2S/c1-10(25-19(30)20(31)3-4-32-9-20)17-15(23)5-11(8-24-17)13-6-12(21)7-14(22)16(13)18-26-28-29(2)27-18/h5-8,10,31H,3-4,9H2,1-2H3,(H,25,30)/t10-,20?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting				Bioorg Med Chem Lett 18: 5107-10 (2008) Article DOI: 10.1016/j.bmcl.2008.07.126 BindingDB Entry DOI: 10.7270/Q2GX4BCV
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50212094 (3,5-dichloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-triflu...) Show SMILES COC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H18Cl2F4N2O4/c1-10(29-19(32)21(5-6-21)30-20(33)22(26,27)28)13-4-3-11(7-16(13)25)14-8-12(23)9-15(24)17(14)18(31)34-2/h3-4,7-10H,5-6H2,1-2H3,(H,29,32)(H,30,33)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in rat CNS				Bioorg Med Chem Lett 18: 682-7 (2008) BindingDB Entry DOI: 10.7270/Q29024NB
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM202473 (US9546152, example 1) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C22H22N6O2/c1-15-7-8-18(30-21-16(2)17(13-23)9-10-24-21)14-27(15)22(29)19-5-3-4-6-20(19)28-25-11-12-26-28/h3-6,9-12,15,18H,7-8,14H2,1-2H3/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 27: 1364-1370 (2017) Article DOI: 10.1016/j.bmcl.2017.02.012 BindingDB Entry DOI: 10.7270/Q2WH2S8Q
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371653 (CHEMBL255997) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1ccno1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C23H19Cl2F3N4O4/c1-11(31-22(34)23(3-4-23)32-21(33)17-2-5-30-36-17)19-16(26)6-12(9-29-19)14-7-13(24)8-15(25)20(14)35-10-18(27)28/h2,5-9,11,18H,3-4,10H2,1H3,(H,31,34)(H,32,33)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in rat CNS				Bioorg Med Chem Lett 18: 682-7 (2008) BindingDB Entry DOI: 10.7270/Q29024NB
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371657 (CHEMBL404370) Show SMILES COC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)c2cc(OC)no2)c(F)c1 Show InChI InChI=1S/C25H22Cl2FN3O6/c1-12(29-24(34)25(6-7-25)30-22(32)19-11-20(35-2)31-37-19)15-5-4-13(8-18(15)28)16-9-14(26)10-17(27)21(16)23(33)36-3/h4-5,8-12H,6-7H2,1-3H3,(H,29,34)(H,30,32)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in rat CNS				Bioorg Med Chem Lett 18: 682-7 (2008) BindingDB Entry DOI: 10.7270/Q29024NB
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50084396 (CHEMBL3426143) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(I)ccn1 |r| Show InChI InChI=1S/C20H20IN5O2/c1-14-6-7-16(28-19-12-15(21)8-9-22-19)13-25(14)20(27)17-4-2-3-5-18(17)26-23-10-11-24-26/h2-5,8-12,14,16H,6-7,13H2,1H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-(S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...				Bioorg Med Chem Lett 25: 2488-92 (2015) Article DOI: 10.1016/j.bmcl.2015.04.066 BindingDB Entry DOI: 10.7270/Q28S4RN5
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202429 (CHEMBL414962 | methyl 4'-{(1R)-1-[({1-[(difluoroac...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H20F4N2O4/c1-11(27-21(31)22(8-9-22)28-19(29)18(25)26)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)20(30)32-2/h3-7,10-11,18H,8-9H2,1-2H3,(H,27,31)(H,28,29)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50233292 (CHEMBL4062167) Show SMILES COC(=O)c1cccnc1N[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C22H24N6O3/c1-15-9-10-16(26-20-18(22(30)31-2)7-5-11-23-20)14-27(15)21(29)17-6-3-4-8-19(17)28-24-12-13-25-28/h3-8,11-13,15-16H,9-10,14H2,1-2H3,(H,23,26)/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 27: 1364-1370 (2017) Article DOI: 10.1016/j.bmcl.2017.02.012 BindingDB Entry DOI: 10.7270/Q2WH2S8Q
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50264836 ((R)-N-(1-(5-(5-chloro-3-fluoro-2-(2-methyl-2H-tetr...) Show SMILES C[C@@H](NC(=O)C1(O)CCC(F)(F)CC1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C22H21ClF4N6O2/c1-11(29-20(34)21(35)3-5-22(26,27)6-4-21)18-16(25)7-12(10-28-18)14-8-13(23)9-15(24)17(14)19-30-32-33(2)31-19/h7-11,35H,3-6H2,1-2H3,(H,29,34)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting				Bioorg Med Chem Lett 18: 5107-10 (2008) Article DOI: 10.1016/j.bmcl.2008.07.126 BindingDB Entry DOI: 10.7270/Q2GX4BCV
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371320 (CHEMBL271283) Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1Cl)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16Cl2F4N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-12(21)4-9(7-26-15)11-5-10(20)6-13(22)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 716-20 (2008) Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202412 (3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...) Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor				Bioorg Med Chem Lett 17: 3608-12 (2007) Article DOI: 10.1016/j.bmcl.2007.04.040 BindingDB Entry DOI: 10.7270/Q2765F1K
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202412 (3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...) Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50212094 (3,5-dichloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-triflu...) Show SMILES COC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H18Cl2F4N2O4/c1-10(29-19(32)21(5-6-21)30-20(33)22(26,27)28)13-4-3-11(7-16(13)25)14-8-12(23)9-15(24)17(14)18(31)34-2/h3-4,7-10H,5-6H2,1-2H3,(H,29,32)(H,30,33)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor				Bioorg Med Chem Lett 17: 3608-12 (2007) Article DOI: 10.1016/j.bmcl.2007.04.040 BindingDB Entry DOI: 10.7270/Q2765F1K
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50265334 ((R)-N-(1-(5-(5-chloro-3-fluoro-2-(2-methyl-2H-tetr...) Show SMILES C[C@@H](NC(=O)C1(O)CCCC1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C21H21ClF2N6O2/c1-11(26-20(31)21(32)5-3-4-6-21)18-16(24)7-12(10-25-18)14-8-13(22)9-15(23)17(14)19-27-29-30(2)28-19/h7-11,32H,3-6H2,1-2H3,(H,26,31)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting				Bioorg Med Chem Lett 18: 5107-10 (2008) Article DOI: 10.1016/j.bmcl.2008.07.126 BindingDB Entry DOI: 10.7270/Q2GX4BCV
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50229295 ((R)-N-((R)-1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2...) Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)33-30-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting				Bioorg Med Chem Lett 18: 5107-10 (2008) Article DOI: 10.1016/j.bmcl.2008.07.126 BindingDB Entry DOI: 10.7270/Q2GX4BCV
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371644 (CHEMBL404484) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C24H21Cl2F3N4O5/c1-11(31-23(35)24(3-4-24)32-22(34)17-8-19(36-2)33-38-17)20-16(27)5-12(9-30-20)14-6-13(25)7-15(26)21(14)37-10-18(28)29/h5-9,11,18H,3-4,10H2,1-2H3,(H,31,35)(H,32,34)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in rat CNS				Bioorg Med Chem Lett 18: 682-7 (2008) BindingDB Entry DOI: 10.7270/Q29024NB
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294306 (US9586950, 1) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C23H22N6O4/c1-15-7-8-17(33-21-20(23(31)32-2)16(13-24)9-10-25-21)14-28(15)22(30)18-5-3-4-6-19(18)29-26-11-12-27-29/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 27: 1364-1370 (2017) Article DOI: 10.1016/j.bmcl.2017.02.012 BindingDB Entry DOI: 10.7270/Q2WH2S8Q
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202409 (CHEMBL218605 | N-{(1R)-1-[3,3'-difluoro-2'-(3-meth...) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cccc(F)c1-c1nc(C)no1 |r| Show InChI InChI=1S/C23H19F5N4O3/c1-11(29-20(33)22(8-9-22)31-21(34)23(26,27)28)14-7-6-13(10-17(14)25)15-4-3-5-16(24)18(15)19-30-12(2)32-35-19/h3-7,10-11H,8-9H2,1-2H3,(H,29,33)(H,31,34)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50000984 (CHEMBL3235265) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)C#Cc1cccc(CO)c1 |r| Show InChI InChI=1S/C25H26N4O2/c1-18-6-11-24(29-26-12-13-27-29)23(14-18)25(31)28-16-21(8-7-19(28)2)10-9-20-4-3-5-22(15-20)17-30/h3-6,11-15,19,21,30H,7-8,16-17H2,1-2H3/t19-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human OX2 receptor in cell membrane by in vitro radioligand binding assay				Bioorg Med Chem Lett 24: 1784-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.026 BindingDB Entry DOI: 10.7270/Q2RV0Q6F
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202422 (CHEMBL424919 | methyl 4'-{[({1-[(dichloroacetyl)am...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)C(Cl)Cl)c(F)c1 Show InChI InChI=1S/C21H18Cl2F2N2O4/c1-31-19(29)16-13(3-2-4-14(16)24)11-5-6-12(15(25)9-11)10-26-20(30)21(7-8-21)27-18(28)17(22)23/h2-6,9,17H,7-8,10H2,1H3,(H,26,30)(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50000984 (CHEMBL3235265) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)C#Cc1cccc(CO)c1 |r| Show InChI InChI=1S/C25H26N4O2/c1-18-6-11-24(29-26-12-13-27-29)23(14-18)25(31)28-16-21(8-7-19(28)2)10-9-20-4-3-5-22(15-20)17-30/h3-6,11-15,19,21,30H,7-8,16-17H2,1-2H3/t19-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human OX1 receptor in cell membrane by in vitro radioligand binding assay				Bioorg Med Chem Lett 24: 1784-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.026 BindingDB Entry DOI: 10.7270/Q2RV0Q6F
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202418 (CHEMBL374580 | methyl 3,3'-difluoro-4'-{(1R)-1-[({...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H19F5N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371332 (CHEMBL258324) Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16ClF5N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 716-20 (2008) Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202416 (CHEMBL220657 | N-{(1R)-1-[3,3'-difluoro-2'-(2-meth...) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cccc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C22H19F5N6O2/c1-11(28-19(34)21(8-9-21)29-20(35)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18-30-32-33(2)31-18/h3-7,10-11H,8-9H2,1-2H3,(H,28,34)(H,29,35)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50084385 (CHEMBL3426134) Show SMILES CCc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1 |r| Show InChI InChI=1S/C22H25N5O2/c1-3-17-10-11-23-21(14-17)29-18-9-8-16(2)26(15-18)22(28)19-6-4-5-7-20(19)27-24-12-13-25-27/h4-7,10-14,16,18H,3,8-9,15H2,1-2H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-(S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...				Bioorg Med Chem Lett 25: 2488-92 (2015) Article DOI: 10.1016/j.bmcl.2015.04.066 BindingDB Entry DOI: 10.7270/Q28S4RN5
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50084383 (CHEMBL3426136) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(ccn1)C#C |r| Show InChI InChI=1S/C22H21N5O2/c1-3-17-10-11-23-21(14-17)29-18-9-8-16(2)26(15-18)22(28)19-6-4-5-7-20(19)27-24-12-13-25-27/h1,4-7,10-14,16,18H,8-9,15H2,2H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-(S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...				Bioorg Med Chem Lett 25: 2488-92 (2015) Article DOI: 10.1016/j.bmcl.2015.04.066 BindingDB Entry DOI: 10.7270/Q28S4RN5
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371658 (CHEMBL270173) Show SMILES CCOc1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(CC2)NC(=O)c2ccno2)c(F)c1 Show InChI InChI=1S/C23H21Cl2FN4O4/c1-3-33-20-15(9-14(24)10-16(20)25)13-8-17(26)19(27-11-13)12(2)29-22(32)23(5-6-23)30-21(31)18-4-7-28-34-18/h4,7-12H,3,5-6H2,1-2H3,(H,29,32)(H,30,31)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in rat CNS				Bioorg Med Chem Lett 18: 682-7 (2008) BindingDB Entry DOI: 10.7270/Q29024NB
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50233294 (CHEMBL4079757) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1nc(NC(C)=O)ccc1-c1ccccc1)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C27H27N5O3/c1-17-9-10-22(35-26-18(2)21(15-28)13-14-29-26)16-32(17)27(34)25-23(20-7-5-4-6-8-20)11-12-24(31-25)30-19(3)33/h4-8,11-14,17,22H,9-10,16H2,1-3H3,(H,30,31,33)/t17-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 27: 1364-1370 (2017) Article DOI: 10.1016/j.bmcl.2017.02.012 BindingDB Entry DOI: 10.7270/Q2WH2S8Q
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202425 (CHEMBL426561 | N-{(1R)-1-[3'-chloro-3-fluoro-2'-(2...) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cccc(Cl)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C22H19ClF4N6O2/c1-11(28-19(34)21(8-9-21)29-20(35)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18-30-32-33(2)31-18/h3-7,10-11H,8-9H2,1-2H3,(H,28,34)(H,29,35)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371321 (CHEMBL258326) Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nc(C)no1 Show InChI InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)30-33-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 716-20 (2008) Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50229295 ((R)-N-((R)-1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2...) Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)33-30-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 716-20 (2008) Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50264722 (CHEMBL484881 | N-((R)-1-(5-(5-chloro-3-fluoro-2-(2...) Show SMILES C[C@@H](NC(=O)C1(O)CCC(=O)C1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C21H19ClF2N6O3/c1-10(26-20(32)21(33)4-3-13(31)8-21)18-16(24)5-11(9-25-18)14-6-12(22)7-15(23)17(14)19-27-29-30(2)28-19/h5-7,9-10,33H,3-4,8H2,1-2H3,(H,26,32)/t10-,21?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting				Bioorg Med Chem Lett 18: 5107-10 (2008) Article DOI: 10.1016/j.bmcl.2008.07.126 BindingDB Entry DOI: 10.7270/Q2GX4BCV
					More data for this Ligand-Target Pair

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