Compile Data Set for Download or QSAR

Found 413 hits with Last Name = 'iyer' 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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170654 ((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...) Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from sigma 1 receptor in guinea pig whole brain microsomes				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170654 ((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...) Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from sigma 1 receptor in guinea pig liver microsomes				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170654 ((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...) Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from recombinant guinea pig His6-tagged sigma 1 receptor expressed in Saccharomyces cerevisiae WAO microsomes				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50242666 (CHEMBL4083034) Show SMILES CC(C)(C)c1ccc(CCCN2CCCCC2)cc1 Show InChI InChI=1S/C18H29N/c1-18(2,3)17-11-9-16(10-12-17)8-7-15-19-13-5-4-6-14-19/h9-12H,4-8,13-15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from recombinant human sigma 1 receptor expressed in baculovirus infected Sf9 insect cell membranes after 90 min...				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50242668 (CHEMBL4071509) Show SMILES C[C@@H]1CN(CCCc2ccc(cc2)C(C)(C)C)C[C@@H](C)O1 |r| Show InChI InChI=1S/C19H31NO/c1-15-13-20(14-16(2)21-15)12-6-7-17-8-10-18(11-9-17)19(3,4)5/h8-11,15-16H,6-7,12-14H2,1-5H3/t15-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from recombinant human sigma 1 receptor expressed in baculovirus infected Sf9 insect cell membranes after 90 min...				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50242670 (CHEMBL4090823) Show SMILES CC(C)(C)c1ccc(CCCN2CCOCC2)cc1 Show InChI InChI=1S/C17H27NO/c1-17(2,3)16-8-6-15(7-9-16)5-4-10-18-11-13-19-14-12-18/h6-9H,4-5,10-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from recombinant human sigma 1 receptor expressed in baculovirus infected Sf9 insect cell membranes after 90 min...				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50242671 (CHEMBL4101014) Show SMILES CC1CCN(CCCc2ccc(cc2)C(C)(C)C)CC1 Show InChI InChI=1S/C19H31N/c1-16-11-14-20(15-12-16)13-5-6-17-7-9-18(10-8-17)19(2,3)4/h7-10,16H,5-6,11-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from recombinant human sigma 1 receptor expressed in baculovirus infected Sf9 insect cell membranes after 90 min...				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Complement C1s subcomponent (Homo sapiens (Human))	BDBM50462110 (CHEMBL4244141) Show SMILES CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1cccc(C=O)c1)C(N)=N Show InChI InChI=1S/C19H16N2O3S3/c1-25-19-17(10-16(26-19)18(20)21)27(23,24)15-7-3-6-14(9-15)13-5-2-4-12(8-13)11-22/h2-11H,1H3,(H3,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of C1s (unknown origin) using Cbz-Gly-Arg-S-Bzl as substrate preincubated with substrate for 15 mins followed by enzyme addition and measu...				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM50462098 (CHEMBL4242955) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C155H250N46O54S6/c1-69(2)50-90(132(232)181-92(52-79-57-167-82-31-17-16-30-80(79)82)134(234)190-101(65-258)143(243)182-93(53-107(162)210)135(235)179-89(154(254)255)39-41-106(161)209)180-129(229)86(35-21-25-47-159)177-148(248)119(74(9)205)198-144(244)104(68-261)191-146(246)116(70(3)4)195-123(223)72(7)171-138(238)98(62-203)187-127(227)83(32-18-22-44-156)172-109(212)58-168-125(225)95(55-114(219)220)184-139(239)97(61-202)173-110(213)59-169-126(226)99(63-256)188-131(231)87(36-26-48-166-155(164)165)176-140(240)102(66-259)192-150(250)120(75(10)206)197-137(237)94(54-108(163)211)183-142(242)100(64-257)189-130(230)85(34-20-24-46-158)175-136(236)96(56-115(221)222)185-128(228)84(33-19-23-45-157)174-133(233)91(51-78-28-14-13-15-29-78)186-149(249)121(76(11)207)200-152(252)118(73(8)204)194-111(214)60-170-145(245)105-37-27-49-201(105)153(253)88(40-43-113(217)218)178-141(241)103(67-260)193-151(251)122(77(12)208)199-147(247)117(71(5)6)196-124(224)81(160)38-42-112(215)216/h13-17,28-31,57,69-77,81,83-105,116-122,167,202-208,256-261H,18-27,32-56,58-68,156-160H2,1-12H3,(H2,161,209)(H2,162,210)(H2,163,211)(H,168,225)(H,169,226)(H,170,245)(H,171,238)(H,172,212)(H,173,213)(H,174,233)(H,175,236)(H,176,240)(H,177,248)(H,178,241)(H,179,235)(H,180,229)(H,181,232)(H,182,243)(H,183,242)(H,184,239)(H,185,228)(H,186,249)(H,187,227)(H,188,231)(H,189,230)(H,190,234)(H,191,246)(H,192,250)(H,193,251)(H,194,214)(H,195,223)(H,196,224)(H,197,237)(H,198,244)(H,199,247)(H,200,252)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,254,255)(H4,164,165,166)/t72-,73+,74+,75+,76+,77+,81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,116-,117-,118-,119-,120-,121-,122-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant CP1-CCP2-SP fragment of MASP-2 (unknown origin)				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 1 (Homo sapiens)	BDBM50462088 (CHEMBL4250967) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C154H248N46O51S6/c1-72(2)54-92(131(229)191-103(68-254)141(239)183-94(57-82-39-41-83(208)42-40-82)133(231)180-91(152(250)251)43-45-108(159)209)182-127(225)85(33-18-22-48-156)174-126(224)89(37-26-52-167-154(164)165)178-146(244)118(76(7)204)197-143(241)106(71-257)192-134(232)93(55-80-28-13-11-14-29-80)181-122(220)74(5)171-137(235)100(65-202)188-125(223)84(32-17-21-47-155)172-110(211)61-168-123(221)97(59-114(216)217)185-138(236)99(64-201)173-111(212)62-169-124(222)101(66-252)189-130(228)88(36-25-51-166-153(162)163)177-139(237)104(69-255)193-148(246)119(77(8)205)196-136(234)96(58-109(160)210)184-142(240)102(67-253)190-129(227)87(35-20-24-50-158)176-135(233)98(60-115(218)219)186-128(226)86(34-19-23-49-157)175-132(230)95(56-81-30-15-12-16-31-81)187-147(245)121(79(10)207)199-150(248)117(75(6)203)195-112(213)63-170-144(242)107-38-27-53-200(107)151(249)90(44-46-113(214)215)179-140(238)105(70-256)194-149(247)120(78(9)206)198-145(243)116(161)73(3)4/h11-16,28-31,39-42,72-79,84-107,116-121,201-208,252-257H,17-27,32-38,43-71,155-158,161H2,1-10H3,(H2,159,209)(H2,160,210)(H,168,221)(H,169,222)(H,170,242)(H,171,235)(H,172,211)(H,173,212)(H,174,224)(H,175,230)(H,176,233)(H,177,237)(H,178,244)(H,179,238)(H,180,231)(H,181,220)(H,182,225)(H,183,239)(H,184,240)(H,185,236)(H,186,226)(H,187,245)(H,188,223)(H,189,228)(H,190,227)(H,191,229)(H,192,232)(H,193,246)(H,194,247)(H,195,213)(H,196,234)(H,197,241)(H,198,243)(H,199,248)(H,214,215)(H,216,217)(H,218,219)(H,250,251)(H4,162,163,166)(H4,164,165,167)/t74-,75+,76+,77+,78+,79+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,116-,117-,118-,119-,120-,121-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant CP1-CCP2-SP fragment of MASP-1 (unknown origin)				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50242669 (CHEMBL4098546) Show SMILES CC1CN(CCCc2ccc(cc2)C(C)(C)C)CC(C)O1 Show InChI InChI=1S/C19H31NO/c1-15-13-20(14-16(2)21-15)12-6-7-17-8-10-18(11-9-17)19(3,4)5/h8-11,15-16H,6-7,12-14H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from recombinant human sigma 1 receptor expressed in baculovirus infected Sf9 insect cell membranes after 90 min...				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Complement C1s subcomponent (Homo sapiens (Human))	BDBM50462090 (CHEMBL4242095) Show SMILES CSc1sc(cc1S(=O)(=NS(=O)(=O)c1cccc(NC(N)=O)c1)c1cccc(c1)-c1c(C)cc(NC(N)=N)cc1N)C(N)=N Show InChI InChI=1S/C27H29N9O4S4/c1-14-9-17(34-26(31)32)12-20(28)23(14)15-5-3-7-18(10-15)43(38,22-13-21(24(29)30)42-25(22)41-2)36-44(39,40)19-8-4-6-16(11-19)35-27(33)37/h3-13H,28H2,1-2H3,(H3,29,30)(H4,31,32,34)(H3,33,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human plasma C1s using Cbz-Gly-Arg-S-Bzl as substrate preincubated with substrate for 15 mins followed by enzyme addition and measured ...				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50242671 (CHEMBL4101014) Show SMILES CC1CCN(CCCc2ccc(cc2)C(C)(C)C)CC1 Show InChI InChI=1S/C19H31N/c1-16-11-14-20(15-12-16)13-5-6-17-7-9-18(10-8-17)19(2,3)4/h7-10,16H,5-6,11-15H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-ditolylguanidine from recombinant rat sigma 2 receptor expressed in rat PC12 cell membranes after 90 mins in presence of sig...				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50462094 (CHEMBL4250011) Show SMILES C[C@H](N1CCc2ccccc2[C@@H]1c1cccc2ccccc12)C(=O)N(Cc1ccccc1F)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C38H35FN2O/c1-26(38(42)41(25-31-15-6-9-20-36(31)39)32-23-29-13-2-3-14-30(29)24-32)40-22-21-28-12-5-8-18-34(28)37(40)35-19-10-16-27-11-4-7-17-33(27)35/h2-20,26,32,37H,21-25H2,1H3/t26-,37+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity at recombinant human C5aR1 expressed in Sf9 insect cell membranes co-expressing G-alphai2,G-beta1 and G-gamma2 assessed as inhibi...				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50170654 ((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...) Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from recombinant human sigma 1 receptor expressed in baculovirus infected Sf9 insect cell membranes after 90 min...				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Complement C1s subcomponent (Homo sapiens (Human))	BDBM50462111 (CHEMBL4239924) Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1)C(N)=N Show InChI InChI=1S/C21H16F2N4O2S4/c1-30-21-14(9-17(32-21)19(24)25)20-26-16(10-31-20)11-3-2-4-13(7-11)27-33(28,29)18-6-5-12(22)8-15(18)23/h2-10,27H,1H3,(H3,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of C1s (unknown origin) using Cbz-Gly-Arg-S-Bzl as substrate preincubated with substrate for 15 mins followed by enzyme addition and measu...				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50242666 (CHEMBL4083034) Show SMILES CC(C)(C)c1ccc(CCCN2CCCCC2)cc1 Show InChI InChI=1S/C18H29N/c1-18(2,3)17-11-9-16(10-12-17)8-7-15-19-13-5-4-6-14-19/h9-12H,4-8,13-15H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-ditolylguanidine from recombinant rat sigma 2 receptor expressed in rat PC12 cell membranes after 90 mins in presence of sig...				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 1 (Homo sapiens)	BDBM50462102 (CHEMBL4240381) Show SMILES CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C63H107N17O19S2/c1-9-32(6)47(75-45(83)26-64)57(93)73-40(29-100)53(89)72-38(27-81)51(87)68-35(16-12-20-67-63(65)66)50(86)71-39(28-82)52(88)69-36(24-31(4)5)59(95)80-23-15-19-44(80)60(96)78-21-13-18-43(78)56(92)76-48(33(7)10-2)58(94)74-41(30-101)54(90)77-49(34(8)11-3)61(97)79-22-14-17-42(79)55(91)70-37(62(98)99)25-46(84)85/h31-44,47-49,81-82,100-101H,9-30,64H2,1-8H3,(H,68,87)(H,69,88)(H,70,91)(H,71,86)(H,72,89)(H,73,93)(H,74,94)(H,75,83)(H,76,92)(H,77,90)(H,84,85)(H,98,99)(H4,65,66,67)/t32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,47-,48-,49-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of MASP-1 (unknown origin) using Z-L-LysSBzl hydrochloride as substrate preincubated for 1 hr followed by substrate addition				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50242668 (CHEMBL4071509) Show SMILES C[C@@H]1CN(CCCc2ccc(cc2)C(C)(C)C)C[C@@H](C)O1 |r| Show InChI InChI=1S/C19H31NO/c1-15-13-20(14-16(2)21-15)12-6-7-17-8-10-18(11-9-17)19(3,4)5/h8-11,15-16H,6-7,12-14H2,1-5H3/t15-,16-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-ditolylguanidine from recombinant rat sigma 2 receptor expressed in rat PC12 cell membranes after 90 mins in presence of sig...				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50242669 (CHEMBL4098546) Show SMILES CC1CN(CCCc2ccc(cc2)C(C)(C)C)CC(C)O1 Show InChI InChI=1S/C19H31NO/c1-15-13-20(14-16(2)21-15)12-6-7-17-8-10-18(11-9-17)19(3,4)5/h8-11,15-16H,6-7,12-14H2,1-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-ditolylguanidine from recombinant rat sigma 2 receptor expressed in rat PC12 cell membranes after 90 mins in presence of sig...				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM50462099 (CHEMBL4246684) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C68H101N17O21S2/c1-5-35(4)54(66(104)84-24-8-11-48(84)61(99)76-43(67(105)106)28-52(91)92)82-60(98)47(33-108)80-63(101)53(34(2)3)81-62(100)49-12-7-23-83(49)65(103)50-13-9-25-85(50)64(102)42(27-37-16-20-39(89)21-17-37)75-58(96)45(31-87)77-55(93)40(10-6-22-72-68(70)71)74-57(95)44(30-86)78-59(97)46(32-107)79-56(94)41(73-51(90)29-69)26-36-14-18-38(88)19-15-36/h14-21,34-35,40-50,53-54,86-89,107-108H,5-13,22-33,69H2,1-4H3,(H,73,90)(H,74,95)(H,75,96)(H,76,99)(H,77,93)(H,78,97)(H,79,94)(H,80,101)(H,81,100)(H,82,98)(H,91,92)(H,105,106)(H4,70,71,72)/t35-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,53-,54-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of MASP-2 (unknown origin) using Z-L-LysSBzl hydrochloride as substrate preincubated for 1 hr followed by substrate addition				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM50462090 (CHEMBL4242095) Show SMILES CSc1sc(cc1S(=O)(=NS(=O)(=O)c1cccc(NC(N)=O)c1)c1cccc(c1)-c1c(C)cc(NC(N)=N)cc1N)C(N)=N Show InChI InChI=1S/C27H29N9O4S4/c1-14-9-17(34-26(31)32)12-20(28)23(14)15-5-3-7-18(10-15)43(38,22-13-21(24(29)30)42-25(22)41-2)36-44(39,40)19-8-4-6-16(11-19)35-27(33)37/h3-13H,28H2,1-2H3,(H3,29,30)(H4,31,32,34)(H3,33,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human His-tagged MASP-2 (Cys300 to Phe686 residues) expressed in baculovirus infected insect cells using Z-Gly-Arg-S-Bzl as substrate p...				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50242667 (CHEMBL1562542) Show SMILES C(CN1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C13H19NO/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6H,4,7-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	706	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from recombinant human sigma 1 receptor expressed in baculovirus infected Sf9 insect cell membranes after 90 min...				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50170654 ((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...) Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	854	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-ditolylguanidine from recombinant rat sigma 2 receptor expressed in rat PC12 cell membranes after 90 mins in presence of sig...				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50242670 (CHEMBL4090823) Show SMILES CC(C)(C)c1ccc(CCCN2CCOCC2)cc1 Show InChI InChI=1S/C17H27NO/c1-17(2,3)16-8-6-15(7-9-16)5-4-10-18-11-13-19-14-12-18/h6-9H,4-5,10-14H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-ditolylguanidine from recombinant rat sigma 2 receptor expressed in rat PC12 cell membranes after 90 mins in presence of sig...				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM50462102 (CHEMBL4240381) Show SMILES CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C63H107N17O19S2/c1-9-32(6)47(75-45(83)26-64)57(93)73-40(29-100)53(89)72-38(27-81)51(87)68-35(16-12-20-67-63(65)66)50(86)71-39(28-82)52(88)69-36(24-31(4)5)59(95)80-23-15-19-44(80)60(96)78-21-13-18-43(78)56(92)76-48(33(7)10-2)58(94)74-41(30-101)54(90)77-49(34(8)11-3)61(97)79-22-14-17-42(79)55(91)70-37(62(98)99)25-46(84)85/h31-44,47-49,81-82,100-101H,9-30,64H2,1-8H3,(H,68,87)(H,69,88)(H,70,91)(H,71,86)(H,72,89)(H,73,93)(H,74,94)(H,75,83)(H,76,92)(H,77,90)(H,84,85)(H,98,99)(H4,65,66,67)/t32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,47-,48-,49-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of MASP-2 (unknown origin) using Z-L-LysSBzl hydrochloride as substrate preincubated for 1 hr followed by substrate addition				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50242667 (CHEMBL1562542) Show SMILES C(CN1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C13H19NO/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6H,4,7-12H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-ditolylguanidine from recombinant rat sigma 2 receptor expressed in rat PC12 cell membranes after 90 mins in presence of sig...				Bioorg Med Chem Lett 27: 2912-2919 (2017) Article DOI: 10.1016/j.bmcl.2017.04.088 BindingDB Entry DOI: 10.7270/Q2154KF1
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50133629 (2,3-Dioxo-2,3-dihydro-indole-1-carboxylic acid ben...) Show SMILES O=C(OCc1ccccc1)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C16H11NO4/c18-14-12-8-4-5-9-13(12)17(15(14)19)16(20)21-10-11-6-2-1-3-7-11/h1-9H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant against alpha-chymotrypsin				Bioorg Med Chem Lett 5: 89-92 (1995) Article DOI: 10.1016/0960-894X(94)00464-Q BindingDB Entry DOI: 10.7270/Q2PZ58S0
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50284351 (2,3-Dioxo-2,3-dihydro-indole-1-carboxylic acid ter...) Show SMILES CC(C)(C)OC(=O)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C13H13NO4/c1-13(2,3)18-12(17)14-9-7-5-4-6-8(9)10(15)11(14)16/h4-7H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant of the compound against Alpha-chymotrypsin inhibitor was determined				Bioorg Med Chem Lett 5: 89-92 (1995) Article DOI: 10.1016/0960-894X(94)00464-Q BindingDB Entry DOI: 10.7270/Q2PZ58S0
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50241203 (CHEMBL414357 | HGEGTFTSDLSKQMEEEAVRLFIEWLKNGGPSSGS...) Show SMILES [H][C@](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)/t94-,95-,96-,97+,98+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,146-,147-,148-,149-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00653 BindingDB Entry DOI: 10.7270/Q28K7F3B
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C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50462093 (CHEMBL4245250) Show SMILES CCCCn1c(nc(c1N(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C35H33N3O4/c1-2-3-18-38-34(28-12-8-5-9-13-28)36-33(27-10-6-4-7-11-27)35(38)37(21-25-14-16-29-31(19-25)41-23-39-29)22-26-15-17-30-32(20-26)42-24-40-30/h4-17,19-20H,2-3,18,21-24H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity at C5aR1 in human HL60 cells assessed as inhibition of recombinant human C5a-induced oxidative burst after 30 mins by fluorescenc...				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50462093 (CHEMBL4245250) Show SMILES CCCCn1c(nc(c1N(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C35H33N3O4/c1-2-3-18-38-34(28-12-8-5-9-13-28)36-33(27-10-6-4-7-11-27)35(38)37(21-25-14-16-29-31(19-25)41-23-39-29)22-26-15-17-30-32(20-26)42-24-40-30/h4-17,19-20H,2-3,18,21-24H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity at C5aR1 in human blood granulocytes assessed as inhibition of recombinant human C5a-induced CD11b expression on granulocytes pre...				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50462093 (CHEMBL4245250) Show SMILES CCCCn1c(nc(c1N(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C35H33N3O4/c1-2-3-18-38-34(28-12-8-5-9-13-28)36-33(27-10-6-4-7-11-27)35(38)37(21-25-14-16-29-31(19-25)41-23-39-29)22-26-15-17-30-32(20-26)42-24-40-30/h4-17,19-20H,2-3,18,21-24H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity at C5aR1 in human neutrophils assessed as inhibition of recombinant human C5a-induced chemotaxis preincubated for 30 mins followe...				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50462093 (CHEMBL4245250) Show SMILES CCCCn1c(nc(c1N(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C35H33N3O4/c1-2-3-18-38-34(28-12-8-5-9-13-28)36-33(27-10-6-4-7-11-27)35(38)37(21-25-14-16-29-31(19-25)41-23-39-29)22-26-15-17-30-32(20-26)42-24-40-30/h4-17,19-20H,2-3,18,21-24H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity at C5aR1 in human U937 cells assessed as inhibition of recombinant human C5a-induced chemotaxis preincubated for 30 mins followed...				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50462093 (CHEMBL4245250) Show SMILES CCCCn1c(nc(c1N(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C35H33N3O4/c1-2-3-18-38-34(28-12-8-5-9-13-28)36-33(27-10-6-4-7-11-27)35(38)37(21-25-14-16-29-31(19-25)41-23-39-29)22-26-15-17-30-32(20-26)42-24-40-30/h4-17,19-20H,2-3,18,21-24H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity at C5aR1 in human U937 cells assessed as inhibition of recombinant human C5a-induced intracellular calcium mobilization preincuba...				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50462093 (CHEMBL4245250) Show SMILES CCCCn1c(nc(c1N(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C35H33N3O4/c1-2-3-18-38-34(28-12-8-5-9-13-28)36-33(27-10-6-4-7-11-27)35(38)37(21-25-14-16-29-31(19-25)41-23-39-29)22-26-15-17-30-32(20-26)42-24-40-30/h4-17,19-20H,2-3,18,21-24H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity at recombinant human C5aR1 expressed in Sf9 insect cell membranes co-expressing G-alphai2,G-beta1 and G-gamma2 assessed as inhibi...				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
Complement factor B (Homo sapiens (Human))	BDBM251408 (US9452990, 90) Show SMILES CCN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C26H30FN7O3/c1-4-30-19(17-7-5-16(15-28)6-8-17)14-21(35)33-9-11-34(12-10-33)26-31-23-18(25(29)32-26)13-20(36-2)24(37-3)22(23)27/h5-8,13,19,30H,4,9-12,14H2,1-3H3,(H2,29,31,32)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human factor B expressed in drosophila cells assessed as decrease in C3a formation using CVF-Bb complex and human complemen...				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50462093 (CHEMBL4245250) Show SMILES CCCCn1c(nc(c1N(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C35H33N3O4/c1-2-3-18-38-34(28-12-8-5-9-13-28)36-33(27-10-6-4-7-11-27)35(38)37(21-25-14-16-29-31(19-25)41-23-39-29)22-26-15-17-30-32(20-26)42-24-40-30/h4-17,19-20H,2-3,18,21-24H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity at C5aR1 in human U937 cells assessed as inhibition of recombinant human C5a-induced cell degranulation preincubated for 30 mins ...				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
Complement C1s subcomponent (Homo sapiens (Human))	BDBM50201566 (CHEMBL2220483) Show SMILES NC(=N)c1cc2ccc(OC(=O)c3cccs3)cc2s1 Show InChI InChI=1S/C14H10N2O2S2/c15-13(16)12-6-8-3-4-9(7-11(8)20-12)18-14(17)10-2-1-5-19-10/h1-7H,(H3,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human C1s esterolytic activity using benzyloxycarbonyl-Lys-thiobenzyl as substrate				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50462086 (CHEMBL1628668) Show SMILES COc1ccc2CCCC(C(=O)N(Cc3ccc(cc3)N(C)C)c3ccc(cc3)C(C)C)c2c1 Show InChI InChI=1S/C30H36N2O2/c1-21(2)23-11-16-26(17-12-23)32(20-22-9-14-25(15-10-22)31(3)4)30(33)28-8-6-7-24-13-18-27(34-5)19-29(24)28/h9-19,21,28H,6-8,20H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity at C5aR1 in human neutrophils assessed as inhibition of 0.1 nM recombinant human C5a-induced intracellular calcium release				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50520310 (CHEMBL4470864) Show SMILES Cc1cc(sc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H28N4O3S/c1-16-15-20(21(17-9-4-2-5-10-17)18-11-6-3-7-12-18)33-22(16)23(30)29-19(24(31)32)13-8-14-28-25(26)27/h2-7,9-12,15,19,21H,8,13-14H2,1H3,(H,29,30)(H,31,32)(H4,26,27,28)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist at C3a receptor in human LAD2 cells assessed as inhibition of C3a-induced beta-hexosaminidase release preincubated for 30 mins followed by...				J Med Chem 63: 529-541 (2020) Article DOI: 10.1021/acs.jmedchem.9b00927 BindingDB Entry DOI: 10.7270/Q2377D3X
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50520310 (CHEMBL4470864) Show SMILES Cc1cc(sc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H28N4O3S/c1-16-15-20(21(17-9-4-2-5-10-17)18-11-6-3-7-12-18)33-22(16)23(30)29-19(24(31)32)13-8-14-28-25(26)27/h2-7,9-12,15,19,21H,8,13-14H2,1H3,(H,29,30)(H,31,32)(H4,26,27,28)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist at C3a receptor in human LAD2 cells assessed as inhibition of C3a-induced beta-hexosaminidase release preincubated for 30 mins followed by...				J Med Chem 63: 529-541 (2020) Article DOI: 10.1021/acs.jmedchem.9b00927 BindingDB Entry DOI: 10.7270/Q2377D3X
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50462086 (CHEMBL1628668) Show SMILES COc1ccc2CCCC(C(=O)N(Cc3ccc(cc3)N(C)C)c3ccc(cc3)C(C)C)c2c1 Show InChI InChI=1S/C30H36N2O2/c1-21(2)23-11-16-26(17-12-23)32(20-22-9-14-25(15-10-22)31(3)4)30(33)28-8-6-7-24-13-18-27(34-5)19-29(24)28/h9-19,21,28H,6-8,20H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity at C5aR1 in HMDM assessed as inhibition of 1 nM recombinant human C5a-induced intracellular calcium release preincubated for 1 hr...				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50520316 (CHEMBL4445758) Show SMILES Cc1cc(sc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1cccc(Cl)c1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H26Cl2N4O3S/c1-14-11-20(21(15-5-2-7-17(26)12-15)16-6-3-8-18(27)13-16)35-22(14)23(32)31-19(24(33)34)9-4-10-30-25(28)29/h2-3,5-8,11-13,19,21H,4,9-10H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f...				J Med Chem 63: 529-541 (2020) Article DOI: 10.1021/acs.jmedchem.9b00927 BindingDB Entry DOI: 10.7270/Q2377D3X
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50520316 (CHEMBL4445758) Show SMILES Cc1cc(sc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(c1cccc(Cl)c1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H26Cl2N4O3S/c1-14-11-20(21(15-5-2-7-17(26)12-15)16-6-3-8-18(27)13-16)35-22(14)23(32)31-19(24(33)34)9-4-10-30-25(28)29/h2-3,5-8,11-13,19,21H,4,9-10H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f...				J Med Chem 63: 529-541 (2020) Article DOI: 10.1021/acs.jmedchem.9b00927 BindingDB Entry DOI: 10.7270/Q2377D3X
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50520305 (CHEMBL4559976) Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccc(s1)C(C1CCCCC1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H32N4O3S/c25-24(26)27-15-7-12-18(23(30)31)28-22(29)20-14-13-19(32-20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1,3-4,8-9,13-14,17-18,21H,2,5-7,10-12,15H2,(H,28,29)(H,30,31)(H4,25,26,27)/t18-,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f...				J Med Chem 63: 529-541 (2020) Article DOI: 10.1021/acs.jmedchem.9b00927 BindingDB Entry DOI: 10.7270/Q2377D3X
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50520309 (CHEMBL4576800) Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccc(s1)C(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H26N4O3S/c25-24(26)27-15-7-12-18(23(30)31)28-22(29)20-14-13-19(32-20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,13-14,18,21H,7,12,15H2,(H,28,29)(H,30,31)(H4,25,26,27)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist at C3a receptor in human LAD2 cells assessed as inhibition of C3a-induced beta-hexosaminidase release preincubated for 30 mins followed by...				J Med Chem 63: 529-541 (2020) Article DOI: 10.1021/acs.jmedchem.9b00927 BindingDB Entry DOI: 10.7270/Q2377D3X
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM354268 ((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...) Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(C)nc1 |r| Show InChI InChI=1S/C26H23BrFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,31,32,38)/t18-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of factor D in human serum assessed as decrease in alternative pathway of complement-mediated hemolysis of PNH erythrocytes				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50520309 (CHEMBL4576800) Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccc(s1)C(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H26N4O3S/c25-24(26)27-15-7-12-18(23(30)31)28-22(29)20-14-13-19(32-20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,13-14,18,21H,7,12,15H2,(H,28,29)(H,30,31)(H4,25,26,27)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist at C3a receptor in human LAD2 cells assessed as inhibition of C3a-induced beta-hexosaminidase release preincubated for 30 mins followed by...				J Med Chem 63: 529-541 (2020) Article DOI: 10.1021/acs.jmedchem.9b00927 BindingDB Entry DOI: 10.7270/Q2377D3X
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50520305 (CHEMBL4559976) Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccc(s1)C(C1CCCCC1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H32N4O3S/c25-24(26)27-15-7-12-18(23(30)31)28-22(29)20-14-13-19(32-20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1,3-4,8-9,13-14,17-18,21H,2,5-7,10-12,15H2,(H,28,29)(H,30,31)(H4,25,26,27)/t18-,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f...				J Med Chem 63: 529-541 (2020) Article DOI: 10.1021/acs.jmedchem.9b00927 BindingDB Entry DOI: 10.7270/Q2377D3X
					More data for this Ligand-Target Pair

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